N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C13H24N2O3 — CID 115691583

IUPACN-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)CCNC(=O)C1CC1C
InChIInChI=1S/C13H24N2O3/c1-9-8-11(9)13(18)14-6-4-12(17)15(3)7-5-10(2)16/h9-11,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyXVUWMALQUOZPKT-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.38
Rot. Bonds7

About N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 115691583) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID115691583
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)CCNC(=O)C1CC1C
InChIInChI=1S/C13H24N2O3/c1-9-8-11(9)13(18)14-6-4-12(17)15(3)7-5-10(2)16/h9-11,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyXVUWMALQUOZPKT-UHFFFAOYSA-N
XLogP0.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide 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

3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60989213
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 112548158
3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60825898
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
N-[(2R)-2-hydroxypropyl]-2-methylcyclopropane-1-carboxamide
CID 83032173
trans-(1S,2S)-N-[3-[[3-[benzyl(methyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95596952
2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 64512398
cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94805916
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106120324
trans-(1R,2R)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910906
cis-(1R,2S)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910904

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 115691583) is N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC(O)CCN(C)C(=O)CCNC(=O)C1CC1C.
What is the InChIKey of N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XVUWMALQUOZPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-8-11(9)13(18)14-6-4-12(17)15(3)7-5-10(2)16/h9-11,16H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115691583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).