4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide

C25H34N2O5 — CID 55429630

IUPAC4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide
SMILESCCC(C)c1ccc(C(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C25H34N2O5/c1-7-16(4)17-8-10-18(11-9-17)23(15(2)3)27-25(29)19-12-20(30-5)24(21(13-19)31-6)32-14-22(26)28/h8-13,15-16,23H,7,14H2,1-6H3,(H2,26,28)(H,27,29)
InChIKeyUBNVRAHJTLHQCW-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.21
Rot. Bonds11

About 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide (PubChem CID 55429630) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide
PubChem CID55429630
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide
SMILESCCC(C)c1ccc(C(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C25H34N2O5/c1-7-16(4)17-8-10-18(11-9-17)23(15(2)3)27-25(29)19-12-20(30-5)24(21(13-19)31-6)32-14-22(26)28/h8-13,15-16,23H,7,14H2,1-6H3,(H2,26,28)(H,27,29)
InChIKeyUBNVRAHJTLHQCW-UHFFFAOYSA-N
XLogP4.21
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-3-methylbutanoic acid
CID 119169977
4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide
CID 55909030
4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 52909496
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 55583447
(2S,3S)-2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-3-methylpentanoic acid
CID 119193825
3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide
CID 55395267
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55820158
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide (CID 55429630) is 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide is CCC(C)c1ccc(C(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)C(C)C)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide?
The InChIKey is UBNVRAHJTLHQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-7-16(4)17-8-10-18(11-9-17)23(15(2)3)27-25(29)19-12-20(30-5)24(21(13-19)31-6)32-14-22(26)28/h8-13,15-16,23H,7,14H2,1-6H3,(H2,26,28)(H,27,29).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide has a molecular weight of 442.56 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55429630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).