N,N-bis(2-methylpropyl)-2-phenylbutanamide

C18H29NO — CID 4080662

IUPACN,N-bis(2-methylpropyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(CC(C)C)CC(C)C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-6-17(16-10-8-7-9-11-16)18(20)19(12-14(2)3)13-15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3
InChIKeyXFQSNGBRQZOZGP-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.32
Rot. Bonds7

About N,N-bis(2-methylpropyl)-2-phenylbutanamide

N,N-bis(2-methylpropyl)-2-phenylbutanamide (PubChem CID 4080662) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-phenylbutanamide
PubChem CID4080662
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN,N-bis(2-methylpropyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(CC(C)C)CC(C)C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-6-17(16-10-8-7-9-11-16)18(20)19(12-14(2)3)13-15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3
InChIKeyXFQSNGBRQZOZGP-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(2-methylpropyl)-2-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] ethanesulfonate
CID 3368033
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
CID 107482538
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
CID 107434077
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-phenylpentanamide
CID 78853977
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
CID 78789416
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
CID 62879070
N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide
CID 42701749
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
CID 54990929

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-phenylbutanamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-phenylbutanamide (CID 4080662) is N,N-bis(2-methylpropyl)-2-phenylbutanamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-phenylbutanamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-phenylbutanamide is CCC(C(=O)N(CC(C)C)CC(C)C)c1ccccc1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-phenylbutanamide?
The InChIKey is XFQSNGBRQZOZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-17(16-10-8-7-9-11-16)18(20)19(12-14(2)3)13-15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-phenylbutanamide?
N,N-bis(2-methylpropyl)-2-phenylbutanamide has a molecular weight of 275.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-phenylbutanamide is sourced from PubChem (CID 4080662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).