N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide

C15H26N2O3 — CID 111459727

IUPACN-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)NCC1CCCC(O)C1
InChIInChI=1S/C15H26N2O3/c18-13-4-1-3-11(9-13)10-17-14(19)5-2-8-16-15(20)12-6-7-12/h11-13,18H,1-10H2,(H,16,20)(H,17,19)
InChIKeyICNDXUYSOSMYGF-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.96
Rot. Bonds7

About N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 111459727) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID111459727
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)NCC1CCCC(O)C1
InChIInChI=1S/C15H26N2O3/c18-13-4-1-3-11(9-13)10-17-14(19)5-2-8-16-15(20)12-6-7-12/h11-13,18H,1-10H2,(H,16,20)(H,17,19)
InChIKeyICNDXUYSOSMYGF-UHFFFAOYSA-N
XLogP0.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.96
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

5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
CID 106137719
4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030
N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide
CID 103908789
4-ethoxy-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103690736
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 114148146
5-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 114148164
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
3-ethylsulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460060
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
CID 115596329
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide (CID 111459727) is N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide is O=C(CCCNC(=O)C1CC1)NCC1CCCC(O)C1.
What is the InChIKey of N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is ICNDXUYSOSMYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-13-4-1-3-11(9-13)10-17-14(19)5-2-8-16-15(20)12-6-7-12/h11-13,18H,1-10H2,(H,16,20)(H,17,19).
What are the key properties of N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 111459727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).