N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide

C19H34N2O2 — CID 86877893

IUPACN-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCCCC1CCCCC1
InChIInChI=1S/C19H34N2O2/c22-18(20-14-7-10-16-8-3-1-4-9-16)13-15-21-19(23)17-11-5-2-6-12-17/h16-17H,1-15H2,(H,20,22)(H,21,23)
InChIKeyLMYVGMYJUFMHLA-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.55
Rot. Bonds8

About N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide

N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 86877893) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
PubChem CID86877893
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC NameN-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCCCC1CCCCC1
InChIInChI=1S/C19H34N2O2/c22-18(20-14-7-10-16-8-3-1-4-9-16)13-15-21-19(23)17-11-5-2-6-12-17/h16-17H,1-15H2,(H,20,22)(H,21,23)
InChIKeyLMYVGMYJUFMHLA-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
tert-butyl N-[3-[3-(cyclohexanecarbonylamino)propylamino]-3-oxopropyl]carbamate
CID 108921552
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
N-(3-cyclohexylpropyl)piperidine-3-carboxamide
CID 119289859
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
N-(3-cyclohexylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119289858
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide (CID 86877893) is N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide is O=C(CCNC(=O)C1CCCCC1)NCCCC1CCCCC1.
What is the InChIKey of N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is LMYVGMYJUFMHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c22-18(20-14-7-10-16-8-3-1-4-9-16)13-15-21-19(23)17-11-5-2-6-12-17/h16-17H,1-15H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide?
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 86877893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).