5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide

C22H27N3O2 — CID 42757077

IUPAC5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C22H27N3O2/c1-3-24(4-2)22(27)19-16-18(12-13-20(19)25-14-8-9-15-25)23-21(26)17-10-6-5-7-11-17/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,23,26)
InChIKeyRTVUFEYHKXZLTG-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.02
Rot. Bonds6

About 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide

5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 42757077) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
PubChem CID42757077
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C22H27N3O2/c1-3-24(4-2)22(27)19-16-18(12-13-20(19)25-14-8-9-15-25)23-21(26)17-10-6-5-7-11-17/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,23,26)
InChIKeyRTVUFEYHKXZLTG-UHFFFAOYSA-N
XLogP4.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.02
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

N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
5-benzamido-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethylbenzamide
CID 42675254
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066011
5-benzamido-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethylbenzamide
CID 42675297
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031
5-[[(2R)-2-chloro-2-phenylacetyl]amino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1066282
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
N,N-diethyl-5-[(2-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1067210
5-[(4-bromophenyl)carbamoylamino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1067188
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide (CID 42757077) is 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCCC1.
What is the InChIKey of 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is RTVUFEYHKXZLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-24(4-2)22(27)19-16-18(12-13-20(19)25-14-8-9-15-25)23-21(26)17-10-6-5-7-11-17/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,23,26).
What are the key properties of 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42757077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).