2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide

C13H17N3O2 — CID 115747449

IUPAC2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
SMILESNc1ccccc1C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C13H17N3O2/c14-11-4-2-1-3-10(11)13(18)16-8-7-15-12(17)9-5-6-9/h1-4,9H,5-8,14H2,(H,15,17)(H,16,18)
InChIKeyWNSCNARVDDKRID-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.52
Rot. Bonds5

About 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide

2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide (PubChem CID 115747449) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
PubChem CID115747449
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
SMILESNc1ccccc1C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C13H17N3O2/c14-11-4-2-1-3-10(11)13(18)16-8-7-15-12(17)9-5-6-9/h1-4,9H,5-8,14H2,(H,15,17)(H,16,18)
InChIKeyWNSCNARVDDKRID-UHFFFAOYSA-N
XLogP0.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119945219
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
CID 101455065
2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 115923610
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68724609
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The IUPAC name of 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide (CID 115747449) is 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide is Nc1ccccc1C(=O)NCCNC(=O)C1CC1.
What is the InChIKey of 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The InChIKey is WNSCNARVDDKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-11-4-2-1-3-10(11)13(18)16-8-7-15-12(17)9-5-6-9/h1-4,9H,5-8,14H2,(H,15,17)(H,16,18).
What are the key properties of 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide is sourced from PubChem (CID 115747449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).