N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide

C25H29N3O2 — CID 8789532

IUPACN-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H29N3O2/c1-4-19-10-6-8-15-23(19)27-25(30)17-28(3)16-24(29)26-18(2)21-14-9-12-20-11-5-7-13-22(20)21/h5-15,18H,4,16-17H2,1-3H3,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeyOQPWSYXZQRTYPS-GOSISDBHSA-N
MW403.53 g/mol
LogP4.15
Rot. Bonds8

About N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide

N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 8789532) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide
PubChem CID8789532
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H29N3O2/c1-4-19-10-6-8-15-23(19)27-25(30)17-28(3)16-24(29)26-18(2)21-14-9-12-20-11-5-7-13-22(20)21/h5-15,18H,4,16-17H2,1-3H3,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeyOQPWSYXZQRTYPS-GOSISDBHSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 55411329
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 8680646
2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 100703004
2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
N-[(3-chlorophenyl)methyl]-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9304232
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9303583

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide (CID 8789532) is N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide is CCc1ccccc1NC(=O)CN(C)CC(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide?
The InChIKey is OQPWSYXZQRTYPS-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-4-19-10-6-8-15-23(19)27-25(30)17-28(3)16-24(29)26-18(2)21-14-9-12-20-11-5-7-13-22(20)21/h5-15,18H,4,16-17H2,1-3H3,(H,26,29)(H,27,30)/t18-/m1/s1.
What are the key properties of N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide?
N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 403.53 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 8789532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).