(2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide

C18H28N2O — CID 143406282

IUPAC(2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide
SMILESCC(C)[C@H](NCCCc1ccccc1)C(=O)NCC1CC1
InChIInChI=1S/C18H28N2O/c1-14(2)17(18(21)20-13-16-10-11-16)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyOBERYDSFZHEATD-KRWDZBQOSA-N
MW288.44 g/mol
LogP2.76
Rot. Bonds9

About (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide

(2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide (PubChem CID 143406282) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide
PubChem CID143406282
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide
SMILESCC(C)[C@H](NCCCc1ccccc1)C(=O)NCC1CC1
InChIInChI=1S/C18H28N2O/c1-14(2)17(18(21)20-13-16-10-11-16)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyOBERYDSFZHEATD-KRWDZBQOSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide
CID 106135501
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate
CID 59898570
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide (CID 143406282) is (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide is CC(C)[C@H](NCCCc1ccccc1)C(=O)NCC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide?
The InChIKey is OBERYDSFZHEATD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)17(18(21)20-13-16-10-11-16)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide?
(2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide has a molecular weight of 288.44 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-3-methyl-2-(3-phenylpropylamino)butanamide is sourced from PubChem (CID 143406282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).