N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide

C29H36N2O4 — CID 10277257

IUPACN-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide
SMILESCOc1cc(N(C)C(=O)c2cccc(Oc3ccccc3)c2)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C29H36N2O4/c1-21(2)31(22(3)4)17-18-34-27-16-15-24(20-28(27)33-6)30(5)29(32)23-11-10-14-26(19-23)35-25-12-8-7-9-13-25/h7-16,19-22H,17-18H2,1-6H3
InChIKeyUUVTWMGFPOAJMW-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.26
Rot. Bonds11

About N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide

N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide (PubChem CID 10277257) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide
PubChem CID10277257
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide
SMILESCOc1cc(N(C)C(=O)c2cccc(Oc3ccccc3)c2)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C29H36N2O4/c1-21(2)31(22(3)4)17-18-34-27-16-15-24(20-28(27)33-6)30(5)29(32)23-11-10-14-26(19-23)35-25-12-8-7-9-13-25/h7-16,19-22H,17-18H2,1-6H3
InChIKeyUUVTWMGFPOAJMW-UHFFFAOYSA-N
XLogP6.26
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide
CID 10139496
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-phenoxybenzamide
CID 17442743
N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 155988340
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 17431378
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
CID 18672554
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740
2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
CID 119186550
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide
CID 68883280
(2S)-4-[di(propan-2-yl)amino]-2-(3-methoxyphenyl)butanoic acid
CID 27282104

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide?
The IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide (CID 10277257) is N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide.
What is the SMILES notation for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide?
The canonical SMILES for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide is COc1cc(N(C)C(=O)c2cccc(Oc3ccccc3)c2)ccc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide?
The InChIKey is UUVTWMGFPOAJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-21(2)31(22(3)4)17-18-34-27-16-15-24(20-28(27)33-6)30(5)29(32)23-11-10-14-26(19-23)35-25-12-8-7-9-13-25/h7-16,19-22H,17-18H2,1-6H3.
What are the key properties of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide?
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide has a molecular weight of 476.62 g/mol, XLogP of 6.26, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide is sourced from PubChem (CID 10277257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).