N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide

C18H25N3O3 — CID 121062502

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)17(24)21-14-8-6-13(7-9-14)16(23)20-11-10-19-15(22)12-4-5-12/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyICIZQHJCHZZRHB-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.93
Rot. Bonds6

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

N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 121062502) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
PubChem CID121062502
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)17(24)21-14-8-6-13(7-9-14)16(23)20-11-10-19-15(22)12-4-5-12/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyICIZQHJCHZZRHB-UHFFFAOYSA-N
XLogP1.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.93
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-ethylbutanoylamino)benzamide
CID 121062485
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
CID 17218245
1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propylpiperidine-4-carboxamide
CID 20973017
N-[2-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600467
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063312
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide
CID 121062566
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063342
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
CID 121062466
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide (CID 121062502) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is ICIZQHJCHZZRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)17(24)21-14-8-6-13(7-9-14)16(23)20-11-10-19-15(22)12-4-5-12/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 331.42 g/mol, XLogP of 1.93, 6 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-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 121062502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).