2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide

C18H30N2O — CID 114926657

IUPAC2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
SMILESCCCCCN(C(=O)C(N)CCc1ccccc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-4-5-9-14-20(15(2)3)18(21)17(19)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,17H,4-5,9,12-14,19H2,1-3H3
InChIKeyWMOJPEDUYHZVFO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.37
Rot. Bonds9

About 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide

2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide (PubChem CID 114926657) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
PubChem CID114926657
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
SMILESCCCCCN(C(=O)C(N)CCc1ccccc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-4-5-9-14-20(15(2)3)18(21)17(19)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,17H,4-5,9,12-14,19H2,1-3H3
InChIKeyWMOJPEDUYHZVFO-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 104983951
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
octyl 2-amino-4-phenylbutanoate
CID 3071082
heptyl (2S)-2-amino-4-phenylbutanoate
CID 104983534
(3S)-3-amino-5-hexyl-1-phenyldodecan-4-one
CID 166946981
2-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)hexanamide
CID 54873824
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide (CID 114926657) is 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide is CCCCCN(C(=O)C(N)CCc1ccccc1)C(C)C.
What is the InChIKey of 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is WMOJPEDUYHZVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-9-14-20(15(2)3)18(21)17(19)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,17H,4-5,9,12-14,19H2,1-3H3.
What are the key properties of 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide?
2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 290.45 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 114926657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).