N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide

C15H26N2O3 — CID 111445220

IUPACN-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCC1(O)CCC1
InChIInChI=1S/C15H26N2O3/c18-13(17-11-15(20)8-4-9-15)7-10-16-14(19)12-5-2-1-3-6-12/h12,20H,1-11H2,(H,16,19)(H,17,18)
InChIKeyLPZFFXINLWFYMG-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.10
Rot. Bonds6

About N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide

N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 111445220) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
PubChem CID111445220
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCC1(O)CCC1
InChIInChI=1S/C15H26N2O3/c18-13(17-11-15(20)8-4-9-15)7-10-16-14(19)12-5-2-1-3-6-12/h12,20H,1-11H2,(H,16,19)(H,17,18)
InChIKeyLPZFFXINLWFYMG-UHFFFAOYSA-N
XLogP1.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
1-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369655
N-[3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide
CID 80717607
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111428746
N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
CID 62665924
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide
CID 106741500
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
N-[3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-oxopropyl]cyclopentanecarboxamide
CID 62517380
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide
CID 100650712

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide (CID 111445220) is N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide is O=C(CCNC(=O)C1CCCCC1)NCC1(O)CCC1.
What is the InChIKey of N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is LPZFFXINLWFYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-13(17-11-15(20)8-4-9-15)7-10-16-14(19)12-5-2-1-3-6-12/h12,20H,1-11H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide?
N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 282.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 111445220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).