N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide

C16H26N2O — CID 110295213

IUPACN-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide
SMILESCN(C)CCCNC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(2,14-9-6-5-7-10-14)13-15(19)17-11-8-12-18(3)4/h5-7,9-10H,8,11-13H2,1-4H3,(H,17,19)
InChIKeyQPTSVNYDHWDRBH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.42
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide

N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide (PubChem CID 110295213) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide
PubChem CID110295213
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide
SMILESCN(C)CCCNC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(2,14-9-6-5-7-10-14)13-15(19)17-11-8-12-18(3)4/h5-7,9-10H,8,11-13H2,1-4H3,(H,17,19)
InChIKeyQPTSVNYDHWDRBH-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.42
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

N-(4-acetamidobutyl)-3-methyl-3-phenylbutanamide
CID 110356790
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
CID 110309467
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
CID 110309389
5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157683
N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide
CID 60610285
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995281

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide (CID 110295213) is N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide is CN(C)CCCNC(=O)CC(C)(C)c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide?
The InChIKey is QPTSVNYDHWDRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,14-9-6-5-7-10-14)13-15(19)17-11-8-12-18(3)4/h5-7,9-10H,8,11-13H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide?
N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 110295213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).