5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide

C19H29N3O2 — CID 811746

IUPAC5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N(C)C
InChIInChI=1S/C19H29N3O2/c1-5-22(6-2)19(24)16-13-15(11-12-17(16)21(3)4)20-18(23)14-9-7-8-10-14/h11-14H,5-10H2,1-4H3,(H,20,23)
InChIKeyWYEORXBWNYANAK-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.36
Rot. Bonds6

About 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide

5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide (PubChem CID 811746) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
PubChem CID811746
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N(C)C
InChIInChI=1S/C19H29N3O2/c1-5-22(6-2)19(24)16-13-15(11-12-17(16)21(3)4)20-18(23)14-9-7-8-10-14/h11-14H,5-10H2,1-4H3,(H,20,23)
InChIKeyWYEORXBWNYANAK-UHFFFAOYSA-N
XLogP3.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42747203
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 771591
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
CID 5021314
2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
CID 3533936
N-[3-[[cyclohexyl(propanoyl)amino]methyl]-4-(dimethylamino)phenyl]cyclobutanecarboxamide
CID 42816939
4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672558
2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
CID 42747819
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
CID 7125440
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 811745

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide?
The IUPAC name of 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide (CID 811746) is 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N(C)C.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide?
The InChIKey is WYEORXBWNYANAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-22(6-2)19(24)16-13-15(11-12-17(16)21(3)4)20-18(23)14-9-7-8-10-14/h11-14H,5-10H2,1-4H3,(H,20,23).
What are the key properties of 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide?
5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide is sourced from PubChem (CID 811746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).