2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide

C14H21N3O3 — CID 47013398

IUPAC2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)NC1CCCCC1)NCc1ccco1
InChIInChI=1S/C14H21N3O3/c18-13(15-9-12-7-4-8-20-12)10-16-14(19)17-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,18)(H2,16,17,19)
InChIKeyQISQRZNRVVISCZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.53
Rot. Bonds5

About 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide

2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 47013398) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
PubChem CID47013398
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)NC1CCCCC1)NCc1ccco1
InChIInChI=1S/C14H21N3O3/c18-13(15-9-12-7-4-8-20-12)10-16-14(19)17-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,18)(H2,16,17,19)
InChIKeyQISQRZNRVVISCZ-UHFFFAOYSA-N
XLogP1.53
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54831186
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108958927
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
3-[[4-(cyclohexylcarbamoylamino)butanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55924941
cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678128
2-[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 109442875
2-[(4-cyclohexylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254541
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8789325

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide (CID 47013398) is 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide is O=C(CNC(=O)NC1CCCCC1)NCc1ccco1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QISQRZNRVVISCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13(15-9-12-7-4-8-20-12)10-16-14(19)17-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,18)(H2,16,17,19).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide?
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 47013398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).