2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

C21H35N3O2 — CID 8906778

IUPAC2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C21H35N3O2/c1-7-24(13-20(25)22-16(4)5)14-21(26)23-17(6)19-10-8-18(9-11-19)12-15(2)3/h8-11,15-17H,7,12-14H2,1-6H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyLNUCRAWQZOEBCF-KRWDZBQOSA-N
MW361.53 g/mol
LogP2.91
Rot. Bonds10

About 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 8906778) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
PubChem CID8906778
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C21H35N3O2/c1-7-24(13-20(25)22-16(4)5)14-21(26)23-17(6)19-10-8-18(9-11-19)12-15(2)3/h8-11,15-17H,7,12-14H2,1-6H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyLNUCRAWQZOEBCF-KRWDZBQOSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906831
2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide
CID 56814568
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795783
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770
2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 58701778

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 8906778) is 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is LNUCRAWQZOEBCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-7-24(13-20(25)22-16(4)5)14-21(26)23-17(6)19-10-8-18(9-11-19)12-15(2)3/h8-11,15-17H,7,12-14H2,1-6H3,(H,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 361.53 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8906778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).