N-butan-2-yl-4-oxopentanamide

C9H17NO2 — CID 60635035

IUPACN-butan-2-yl-4-oxopentanamide
SMILESCCC(C)NC(=O)CCC(C)=O
InChIInChI=1S/C9H17NO2/c1-4-7(2)10-9(12)6-5-8(3)11/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyDEJXUYUZUGXMNM-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.27
Rot. Bonds5

About N-butan-2-yl-4-oxopentanamide

N-butan-2-yl-4-oxopentanamide (PubChem CID 60635035) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-butan-2-yl-4-oxopentanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-oxopentanamide
PubChem CID60635035
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-butan-2-yl-4-oxopentanamide
SMILESCCC(C)NC(=O)CCC(C)=O
InChIInChI=1S/C9H17NO2/c1-4-7(2)10-9(12)6-5-8(3)11/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyDEJXUYUZUGXMNM-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-butan-2-ylpropanamide
CID 16784988
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
CID 2169384
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
6-acetamido-N-butan-2-ylhexanamide
CID 60652726
N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide
CID 103817602
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-oxopentanamide?
The IUPAC name of N-butan-2-yl-4-oxopentanamide (CID 60635035) is N-butan-2-yl-4-oxopentanamide.
What is the SMILES notation for N-butan-2-yl-4-oxopentanamide?
The canonical SMILES for N-butan-2-yl-4-oxopentanamide is CCC(C)NC(=O)CCC(C)=O.
What is the InChIKey of N-butan-2-yl-4-oxopentanamide?
The InChIKey is DEJXUYUZUGXMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7(2)10-9(12)6-5-8(3)11/h7H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-butan-2-yl-4-oxopentanamide?
N-butan-2-yl-4-oxopentanamide has a molecular weight of 171.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-oxopentanamide is sourced from PubChem (CID 60635035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).