N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide

C19H27N3O3 — CID 121062485

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-13(4-2)19(25)22-16-9-7-15(8-10-16)18(24)21-12-11-20-17(23)14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyWGENHZLPZFAHJL-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.32
Rot. Bonds9

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide (PubChem CID 121062485) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
PubChem CID121062485
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-13(4-2)19(25)22-16-9-7-15(8-10-16)18(24)21-12-11-20-17(23)14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyWGENHZLPZFAHJL-UHFFFAOYSA-N
XLogP2.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309234
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 121062532
3-[[4-[2-(cyclopentylmethyl)butanoylamino]benzoyl]amino]propanoic acid
CID 119222956
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide
CID 121062566
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
CID 121062466
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide (CID 121062485) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide is CCC(CC)C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide?
The InChIKey is WGENHZLPZFAHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-13(4-2)19(25)22-16-9-7-15(8-10-16)18(24)21-12-11-20-17(23)14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide has a molecular weight of 345.44 g/mol, XLogP of 2.32, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 121062485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).