N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide

C23H30N2O6 — CID 14816122

IUPACN-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCOc1ccc([C@H](C[C@@H](NC(C)=O)c2ccc(OC)c(OC)c2)NC(C)=O)cc1OC
InChIInChI=1S/C23H30N2O6/c1-14(26)24-18(16-7-9-20(28-3)22(11-16)30-5)13-19(25-15(2)27)17-8-10-21(29-4)23(12-17)31-6/h7-12,18-19H,13H2,1-6H3,(H,24,26)(H,25,27)/t18-,19+
InChIKeyQVVBBABAUNKNIR-KDURUIRLSA-N
MW430.50 g/mol
LogP3.17
Rot. Bonds10

About N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide

N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide (PubChem CID 14816122) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
PubChem CID14816122
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC NameN-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCOc1ccc([C@H](C[C@@H](NC(C)=O)c2ccc(OC)c(OC)c2)NC(C)=O)cc1OC
InChIInChI=1S/C23H30N2O6/c1-14(26)24-18(16-7-9-20(28-3)22(11-16)30-5)13-19(25-15(2)27)17-8-10-21(29-4)23(12-17)31-6/h7-12,18-19H,13H2,1-6H3,(H,24,26)(H,25,27)/t18-,19+
InChIKeyQVVBBABAUNKNIR-KDURUIRLSA-N
XLogP3.17
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 5121115
3-(2-acetamidopropanoylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 119167083
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159
(3R)-3-acetamido-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 104941201
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 51195261
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
CID 110314862
(3R)-3-(benzhydrylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 69230254

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide?
The IUPAC name of N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide (CID 14816122) is N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide.
What is the SMILES notation for N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide?
The canonical SMILES for N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide is COc1ccc([C@H](C[C@@H](NC(C)=O)c2ccc(OC)c(OC)c2)NC(C)=O)cc1OC.
What is the InChIKey of N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide?
The InChIKey is QVVBBABAUNKNIR-KDURUIRLSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-14(26)24-18(16-7-9-20(28-3)22(11-16)30-5)13-19(25-15(2)27)17-8-10-21(29-4)23(12-17)31-6/h7-12,18-19H,13H2,1-6H3,(H,24,26)(H,25,27)/t18-,19+.
What are the key properties of N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide?
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide has a molecular weight of 430.50 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 14816122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).