2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide

C17H28N2O — CID 81374940

IUPAC2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1ccccc1C
InChIInChI=1S/C17H28N2O/c1-6-9-13(3)18-17(20)15(5)19-14(4)16-11-8-7-10-12(16)2/h7-8,10-11,13-15,19H,6,9H2,1-5H3,(H,18,20)/t13?,14-,15?/m1/s1
InChIKeyNNUVVDRXJOJFSX-SHARSMKWSA-N
MW276.42 g/mol
LogP3.34
Rot. Bonds7

About 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide

2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide (PubChem CID 81374940) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
PubChem CID81374940
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1ccccc1C
InChIInChI=1S/C17H28N2O/c1-6-9-13(3)18-17(20)15(5)19-14(4)16-11-8-7-10-12(16)2/h7-8,10-11,13-15,19H,6,9H2,1-5H3,(H,18,20)/t13?,14-,15?/m1/s1
InChIKeyNNUVVDRXJOJFSX-SHARSMKWSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81374015
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81383449
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81374264
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81353387
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404441
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide (CID 81374940) is 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N[C@H](C)c1ccccc1C.
What is the InChIKey of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide?
The InChIKey is NNUVVDRXJOJFSX-SHARSMKWSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-9-13(3)18-17(20)15(5)19-14(4)16-11-8-7-10-12(16)2/h7-8,10-11,13-15,19H,6,9H2,1-5H3,(H,18,20)/t13?,14-,15?/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide?
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 81374940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).