N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide

C35H48N4O6 — CID 175579363

IUPACN-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc(C)c(C)c1NCC1COC(C)(C)OC1C
InChIInChI=1S/C35H48N4O6/c1-9-43-22-31(40)38-33-32(36-18-28-21-44-35(5,6)45-25(28)4)23(2)24(3)37-34(33)39(19-26-10-14-29(41-7)15-11-26)20-27-12-16-30(42-8)17-13-27/h10-17,25,28H,9,18-22H2,1-8H3,(H,36,37)(H,38,40)
InChIKeyCIKFFQGOFOJYPE-UHFFFAOYSA-N
MW620.79 g/mol
LogP6.10
Rot. Bonds14

About N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide

N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide (PubChem CID 175579363) has the molecular formula C35H48N4O6 and a molecular weight of 620.79 g/mol. Its IUPAC name is N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide
PubChem CID175579363
Molecular FormulaC35H48N4O6
Molecular Weight620.79 g/mol
Exact Mass620.36
IUPAC NameN-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc(C)c(C)c1NCC1COC(C)(C)OC1C
InChIInChI=1S/C35H48N4O6/c1-9-43-22-31(40)38-33-32(36-18-28-21-44-35(5,6)45-25(28)4)23(2)24(3)37-34(33)39(19-26-10-14-29(41-7)15-11-26)20-27-12-16-30(42-8)17-13-27/h10-17,25,28H,9,18-22H2,1-8H3,(H,36,37)(H,38,40)
InChIKeyCIKFFQGOFOJYPE-UHFFFAOYSA-N
XLogP6.10
TPSA103.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.79
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[bis[(4-methoxyphenyl)methyl]amino]-4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-5,6-dimethyl-3-pyridinyl]-2-ethoxyacetamide
CID 67041304
1-[2-[bis[(4-methoxyphenyl)methyl]amino]-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-5,6,7,8-tetrahydroquinolin-3-yl]hexan-2-one
CID 158074645
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethoxyacetamide
CID 103762450
1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 167616663
2-chloro-3-nitro-N-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methyl]-5,6,7,8-tetrahydroquinolin-4-amine
CID 175579373
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031
methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
CID 176803994
ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate
CID 11012767
[4-[bis[(4-methoxyphenyl)methyl]amino]-2-butoxy-6-(hydroxymethyl)pyrimidin-5-yl]carbamic acid
CID 174231975
ethyl (2E)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-7-(4-methoxyphenyl)heptanoate
CID 102260088
ethyl N-[2-[bis[(4-methoxyphenyl)methyl]amino]-6-chloro-3-nitro-4-pyridinyl]carbamate
CID 171429787

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide (CID 175579363) is N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide is CCOCC(=O)Nc1c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc(C)c(C)c1NCC1COC(C)(C)OC1C.
What is the InChIKey of N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide?
The InChIKey is CIKFFQGOFOJYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N4O6/c1-9-43-22-31(40)38-33-32(36-18-28-21-44-35(5,6)45-25(28)4)23(2)24(3)37-34(33)39(19-26-10-14-29(41-7)15-11-26)20-27-12-16-30(42-8)17-13-27/h10-17,25,28H,9,18-22H2,1-8H3,(H,36,37)(H,38,40).
What are the key properties of N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide?
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide has a molecular weight of 620.79 g/mol, XLogP of 6.10, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide is sourced from PubChem (CID 175579363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).