N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide

C12H22N2O3 — CID 109388484

IUPACN-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCC(CO)N(C)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-9(8-15)14(2)11(16)4-3-7-13-12(17)10-5-6-10/h9-10,15H,3-8H2,1-2H3,(H,13,17)
InChIKeyPRYNVLYLATVKPJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds7

About N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 109388484) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID109388484
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCC(CO)N(C)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-9(8-15)14(2)11(16)4-3-7-13-12(17)10-5-6-10/h9-10,15H,3-8H2,1-2H3,(H,13,17)
InChIKeyPRYNVLYLATVKPJ-UHFFFAOYSA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 112548158
N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46431231
2-[4-(cyclopropanecarbonylamino)butanoyl-ethylamino]acetic acid
CID 119206541
2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193420
(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid
CID 119244617
N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 86833572
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
2-(cyclopropylamino)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551708
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 104553040
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide (CID 109388484) is N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide is CC(CO)N(C)C(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is PRYNVLYLATVKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(8-15)14(2)11(16)4-3-7-13-12(17)10-5-6-10/h9-10,15H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 109388484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).