2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide

C26H30N2O2 — CID 18267543

IUPAC2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(C(NC(=O)CN(Cc2ccccc2)C(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O2/c1-20(2)28(18-21-10-6-4-7-11-21)19-25(29)27-26(22-12-8-5-9-13-22)23-14-16-24(30-3)17-15-23/h4-17,20,26H,18-19H2,1-3H3,(H,27,29)
InChIKeyIWBAICNGGILRSJ-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.81
Rot. Bonds9

About 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide

2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 18267543) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID18267543
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc(C(NC(=O)CN(Cc2ccccc2)C(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O2/c1-20(2)28(18-21-10-6-4-7-11-21)19-25(29)27-26(22-12-8-5-9-13-22)23-14-16-24(30-3)17-15-23/h4-17,20,26H,18-19H2,1-3H3,(H,27,29)
InChIKeyIWBAICNGGILRSJ-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911529
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8906311
ethyl N-[2-[ethyl-[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]amino]acetyl]carbamate
CID 8557018
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8692831
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43872151
N-[(4-methoxyphenyl)-phenylmethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 17427445

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide (CID 18267543) is 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide is COc1ccc(C(NC(=O)CN(Cc2ccccc2)C(C)C)c2ccccc2)cc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is IWBAICNGGILRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-20(2)28(18-21-10-6-4-7-11-21)19-25(29)27-26(22-12-8-5-9-13-22)23-14-16-24(30-3)17-15-23/h4-17,20,26H,18-19H2,1-3H3,(H,27,29).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide?
2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 402.54 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 18267543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).