2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide

C14H15N3O2 — CID 47294974

IUPAC2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)NC2CC2)c1
InChIInChI=1S/C14H15N3O2/c1-2-10-4-3-5-12(8-10)16-13(18)9-15-14(19)17-11-6-7-11/h1,3-5,8,11H,6-7,9H2,(H,16,18)(H2,15,17,19)
InChIKeyOMJICZWLJGWWRD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.07
Rot. Bonds4

About 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide

2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide (PubChem CID 47294974) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide
PubChem CID47294974
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)NC2CC2)c1
InChIInChI=1S/C14H15N3O2/c1-2-10-4-3-5-12(8-10)16-13(18)9-15-14(19)17-11-6-7-11/h1,3-5,8,11H,6-7,9H2,(H,16,18)(H2,15,17,19)
InChIKeyOMJICZWLJGWWRD-UHFFFAOYSA-N
XLogP1.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-(3-ethynylphenyl)acetamide
CID 110990859
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
N-(3-ethynylphenyl)-2-[[3-(2-phenylethynyl)phenyl]carbamoylamino]acetamide
CID 112838330
N-(3-ethynylphenyl)-2-[[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]acetamide
CID 95761710
2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
CID 47158827
tert-butyl N-[2-(3-ethynylanilino)-2-oxoethyl]carbamate
CID 47451721
N-(4-acetamidophenyl)-2-(cyclopropylcarbamoylamino)acetamide
CID 112999758
4-tert-butyl-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 31063301
(2R)-N-cyclopropyl-2-[(3-ethynylphenyl)carbamoylamino]-3-phenylpropanamide
CID 95342005
N-(3-ethynylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924300
N-[2-(3-ethynylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55991190
N-[3-[[2-(3-ethynylanilino)-2-oxoethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 51090668

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide?
The IUPAC name of 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide (CID 47294974) is 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide?
The canonical SMILES for 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide is C#Cc1cccc(NC(=O)CNC(=O)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide?
The InChIKey is OMJICZWLJGWWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-10-4-3-5-12(8-10)16-13(18)9-15-14(19)17-11-6-7-11/h1,3-5,8,11H,6-7,9H2,(H,16,18)(H2,15,17,19).
What are the key properties of 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide?
2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide has a molecular weight of 257.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoylamino)-N-(3-ethynylphenyl)acetamide is sourced from PubChem (CID 47294974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).