N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

C28H31ClN2O5 — CID 133213399

IUPACN-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C(C)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C28H31ClN2O5/c1-19(28(33)30-17-22-7-5-6-8-24(22)29)31(18-20-9-12-23(34-2)13-10-20)27(32)16-21-11-14-25(35-3)26(15-21)36-4/h5-15,19H,16-18H2,1-4H3,(H,30,33)
InChIKeyJAETUOHSNXRVDB-UHFFFAOYSA-N
MW511.02 g/mol
LogP4.64
Rot. Bonds11

About N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 133213399) has the molecular formula C28H31ClN2O5 and a molecular weight of 511.02 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID133213399
Molecular FormulaC28H31ClN2O5
Molecular Weight511.02 g/mol
Exact Mass510.19
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C(C)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C28H31ClN2O5/c1-19(28(33)30-17-22-7-5-6-8-24(22)29)31(18-20-9-12-23(34-2)13-10-20)27(32)16-21-11-14-25(35-3)26(15-21)36-4/h5-15,19H,16-18H2,1-4H3,(H,30,33)
InChIKeyJAETUOHSNXRVDB-UHFFFAOYSA-N
XLogP4.64
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.02
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 133213514
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213398
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 133213388
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide
CID 133213417
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 133213224
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213573
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133149263
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100720693
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213633
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133238567
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 132657470

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (CID 133213399) is N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C(C)C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is JAETUOHSNXRVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O5/c1-19(28(33)30-17-22-7-5-6-8-24(22)29)31(18-20-9-12-23(34-2)13-10-20)27(32)16-21-11-14-25(35-3)26(15-21)36-4/h5-15,19H,16-18H2,1-4H3,(H,30,33).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 511.02 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 133213399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).