3-acetamido-N-butan-2-ylpropanamide;ethane

C11H24N2O2 — CID 153386915

IUPAC3-acetamido-N-butan-2-ylpropanamide;ethane
SMILESCC.CCC(C)NC(=O)CCNC(C)=O
InChIInChI=1S/C9H18N2O2.C2H6/c1-4-7(2)11-9(13)5-6-10-8(3)12;1-2/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13);1-2H3
InChIKeyJSEJAEIDCVYYOD-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.45
Rot. Bonds5

About 3-acetamido-N-butan-2-ylpropanamide;ethane

3-acetamido-N-butan-2-ylpropanamide;ethane (PubChem CID 153386915) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-acetamido-N-butan-2-ylpropanamide;ethane.

Molecular Properties

Compound Name3-acetamido-N-butan-2-ylpropanamide;ethane
PubChem CID153386915
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-acetamido-N-butan-2-ylpropanamide;ethane
SMILESCC.CCC(C)NC(=O)CCNC(C)=O
InChIInChI=1S/C9H18N2O2.C2H6/c1-4-7(2)11-9(13)5-6-10-8(3)12;1-2/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13);1-2H3
InChIKeyJSEJAEIDCVYYOD-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-acetamido-N-butan-2-ylhexanamide
CID 60652726
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
N-butan-2-yl-4-oxopentanamide
CID 60635035
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
(E)-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobut-2-enoic acid
CID 54900855
3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821765
N-butan-2-yl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111228643

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-butan-2-ylpropanamide;ethane?
The IUPAC name of 3-acetamido-N-butan-2-ylpropanamide;ethane (CID 153386915) is 3-acetamido-N-butan-2-ylpropanamide;ethane.
What is the SMILES notation for 3-acetamido-N-butan-2-ylpropanamide;ethane?
The canonical SMILES for 3-acetamido-N-butan-2-ylpropanamide;ethane is CC.CCC(C)NC(=O)CCNC(C)=O.
What is the InChIKey of 3-acetamido-N-butan-2-ylpropanamide;ethane?
The InChIKey is JSEJAEIDCVYYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2H6/c1-4-7(2)11-9(13)5-6-10-8(3)12;1-2/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13);1-2H3.
What are the key properties of 3-acetamido-N-butan-2-ylpropanamide;ethane?
3-acetamido-N-butan-2-ylpropanamide;ethane has a molecular weight of 216.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-butan-2-ylpropanamide;ethane is sourced from PubChem (CID 153386915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).