N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide

C15H24N2O — CID 63705951

IUPACN-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
SMILESCC(C)CNC(=O)C(C)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-11(2)10-16-15(18)13(4)17-12(3)14-8-6-5-7-9-14/h5-9,11-13,17H,10H2,1-4H3,(H,16,18)/t12-,13?/m0/s1
InChIKeyQHOVOOYXMNHSSC-UEWDXFNNSA-N
MW248.37 g/mol
LogP2.50
Rot. Bonds6

About N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide

N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide (PubChem CID 63705951) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
PubChem CID63705951
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
SMILESCC(C)CNC(=O)C(C)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-11(2)10-16-15(18)13(4)17-12(3)14-8-6-5-7-9-14/h5-9,11-13,17H,10H2,1-4H3,(H,16,18)/t12-,13?/m0/s1
InChIKeyQHOVOOYXMNHSSC-UEWDXFNNSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid
CID 103262559
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
4-amino-N-(2-methylpropyl)-2-phenylbutanamide
CID 112515492

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide (CID 63705951) is N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide is CC(C)CNC(=O)C(C)N[C@@H](C)c1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
The InChIKey is QHOVOOYXMNHSSC-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)10-16-15(18)13(4)17-12(3)14-8-6-5-7-9-14/h5-9,11-13,17H,10H2,1-4H3,(H,16,18)/t12-,13?/m0/s1.
What are the key properties of N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide is sourced from PubChem (CID 63705951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).