N-butyl-2-methyl-N-phenylpentanamide

C16H25NO — CID 17256785

IUPACN-butyl-2-methyl-N-phenylpentanamide
SMILESCCCCN(C(=O)C(C)CCC)c1ccccc1
InChIInChI=1S/C16H25NO/c1-4-6-13-17(15-11-8-7-9-12-15)16(18)14(3)10-5-2/h7-9,11-12,14H,4-6,10,13H2,1-3H3
InChIKeyBOVMGYPOTWCQFE-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.26
Rot. Bonds7

About N-butyl-2-methyl-N-phenylpentanamide

N-butyl-2-methyl-N-phenylpentanamide (PubChem CID 17256785) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-butyl-2-methyl-N-phenylpentanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-phenylpentanamide
PubChem CID17256785
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-butyl-2-methyl-N-phenylpentanamide
SMILESCCCCN(C(=O)C(C)CCC)c1ccccc1
InChIInChI=1S/C16H25NO/c1-4-6-13-17(15-11-8-7-9-12-15)16(18)14(3)10-5-2/h7-9,11-12,14H,4-6,10,13H2,1-3H3
InChIKeyBOVMGYPOTWCQFE-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
CID 78821968
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
2-amino-N-butyl-5-methoxy-N-phenylpentanamide
CID 81101701
N-butyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-phenylbutanamide
CID 77047541
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
CID 43135930
4-[N-(2-aminohexanoyl)anilino]butanoic acid
CID 61159735
N-butyl-N-phenyl-2-piperazin-1-ylpropanamide
CID 64586962

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-phenylpentanamide?
The IUPAC name of N-butyl-2-methyl-N-phenylpentanamide (CID 17256785) is N-butyl-2-methyl-N-phenylpentanamide.
What is the SMILES notation for N-butyl-2-methyl-N-phenylpentanamide?
The canonical SMILES for N-butyl-2-methyl-N-phenylpentanamide is CCCCN(C(=O)C(C)CCC)c1ccccc1.
What is the InChIKey of N-butyl-2-methyl-N-phenylpentanamide?
The InChIKey is BOVMGYPOTWCQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-13-17(15-11-8-7-9-12-15)16(18)14(3)10-5-2/h7-9,11-12,14H,4-6,10,13H2,1-3H3.
What are the key properties of N-butyl-2-methyl-N-phenylpentanamide?
N-butyl-2-methyl-N-phenylpentanamide has a molecular weight of 247.38 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-phenylpentanamide is sourced from PubChem (CID 17256785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).