N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide

C19H23N3O2 — CID 37274996

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide
SMILESC#Cc1cccc(NCC(=O)NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H23N3O2/c1-2-15-9-6-10-17(13-15)21-14-18(23)22-19(24)20-12-11-16-7-4-3-5-8-16/h1,6-7,9-10,13,21H,3-5,8,11-12,14H2,(H2,20,22,23,24)
InChIKeyAWCWDJTXNQECTF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide (PubChem CID 37274996) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide
PubChem CID37274996
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide
SMILESC#Cc1cccc(NCC(=O)NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H23N3O2/c1-2-15-9-6-10-17(13-15)21-14-18(23)22-19(24)20-12-11-16-7-4-3-5-8-16/h1,6-7,9-10,13,21H,3-5,8,11-12,14H2,(H2,20,22,23,24)
InChIKeyAWCWDJTXNQECTF-UHFFFAOYSA-N
XLogP2.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835510
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
CID 7963924
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841270
3-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 84617985
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
CID 108993986
3-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845679
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837486
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide
CID 54829291
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836739

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide (CID 37274996) is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide is C#Cc1cccc(NCC(=O)NC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide?
The InChIKey is AWCWDJTXNQECTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-15-9-6-10-17(13-15)21-14-18(23)22-19(24)20-12-11-16-7-4-3-5-8-16/h1,6-7,9-10,13,21H,3-5,8,11-12,14H2,(H2,20,22,23,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide?
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3-ethynylanilino)acetamide is sourced from PubChem (CID 37274996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).