N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide

C15H24N2O3 — CID 110017570

IUPACN'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide
SMILESC#CCNC(=O)CC(=O)NC(CCO)C1CCCCC1
InChIInChI=1S/C15H24N2O3/c1-2-9-16-14(19)11-15(20)17-13(8-10-18)12-6-4-3-5-7-12/h1,12-13,18H,3-11H2,(H,16,19)(H,17,20)
InChIKeySUOIOULDLKPDRW-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.57
Rot. Bonds7

About N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide

N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide (PubChem CID 110017570) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide.

Molecular Properties

Compound NameN'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide
PubChem CID110017570
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide
SMILESC#CCNC(=O)CC(=O)NC(CCO)C1CCCCC1
InChIInChI=1S/C15H24N2O3/c1-2-9-16-14(19)11-15(20)17-13(8-10-18)12-6-4-3-5-7-12/h1,12-13,18H,3-11H2,(H,16,19)(H,17,20)
InChIKeySUOIOULDLKPDRW-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide
CID 97218985
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
3-cyclohexyl-3-(cyclopropylamino)propan-1-ol
CID 83818925
N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide
CID 75390435
3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide
CID 154868296
1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992
3-cyclopentyl-N-prop-2-ynylpropanamide
CID 60646217
2-cyclopentylsulfanyl-N-prop-2-ynylacetamide
CID 78908179

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide?
The IUPAC name of N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide (CID 110017570) is N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide.
What is the SMILES notation for N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide?
The canonical SMILES for N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide is C#CCNC(=O)CC(=O)NC(CCO)C1CCCCC1.
What is the InChIKey of N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide?
The InChIKey is SUOIOULDLKPDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-9-16-14(19)11-15(20)17-13(8-10-18)12-6-4-3-5-7-12/h1,12-13,18H,3-11H2,(H,16,19)(H,17,20).
What are the key properties of N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide?
N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide has a molecular weight of 280.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide is sourced from PubChem (CID 110017570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).