N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide

C14H26N2O2 — CID 79394707

IUPACN-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide
SMILESO=C(CCCNCC1(O)CCCCC1)NC1CC1
InChIInChI=1S/C14H26N2O2/c17-13(16-12-6-7-12)5-4-10-15-11-14(18)8-2-1-3-9-14/h12,15,18H,1-11H2,(H,16,17)
InChIKeyPCGLUXHQBDTOBU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.33
Rot. Bonds7

About N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide

N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide (PubChem CID 79394707) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide
PubChem CID79394707
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide
SMILESO=C(CCCNCC1(O)CCCCC1)NC1CC1
InChIInChI=1S/C14H26N2O2/c17-13(16-12-6-7-12)5-4-10-15-11-14(18)8-2-1-3-9-14/h12,15,18H,1-11H2,(H,16,17)
InChIKeyPCGLUXHQBDTOBU-UHFFFAOYSA-N
XLogP1.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
4-[(1-hydroxycycloheptyl)methylamino]butanamide
CID 60908501
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide
CID 102897486
1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide
CID 81168736
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]butanoic acid
CID 65115815
3-[(1-hydroxycyclohexyl)methylamino]propanamide
CID 60909908
N,N'-dicyclopropyldecanediamide
CID 4668836
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide (CID 79394707) is N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide is O=C(CCCNCC1(O)CCCCC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide?
The InChIKey is PCGLUXHQBDTOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-13(16-12-6-7-12)5-4-10-15-11-14(18)8-2-1-3-9-14/h12,15,18H,1-11H2,(H,16,17).
What are the key properties of N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide?
N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide has a molecular weight of 254.37 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide is sourced from PubChem (CID 79394707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).