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

C12H22N2O3 — CID 112548158

IUPACN-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)N(C)C(C)CO
InChIInChI=1S/C12H22N2O3/c1-8-6-10(8)12(17)13-5-4-11(16)14(3)9(2)7-15/h8-10,15H,4-7H2,1-3H3,(H,13,17)
InChIKeyKQNLPAMKIPOAGP-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.01
Rot. Bonds6

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

N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 112548158) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID112548158
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)N(C)C(C)CO
InChIInChI=1S/C12H22N2O3/c1-8-6-10(8)12(17)13-5-4-11(16)14(3)9(2)7-15/h8-10,15H,4-7H2,1-3H3,(H,13,17)
InChIKeyKQNLPAMKIPOAGP-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94805916
N-[3-[3-hydroxybutyl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115691583
N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 109388484
3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60989213
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60825898
N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 62519781
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 109388581

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 112548158) is N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)N(C)C(C)CO.
What is the InChIKey of N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is KQNLPAMKIPOAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-6-10(8)12(17)13-5-4-11(16)14(3)9(2)7-15/h8-10,15H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 112548158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).