5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide

C19H27N3O2 — CID 771581

IUPAC5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1
InChIInChI=1S/C19H27N3O2/c1-3-21(4-2)19(24)16-13-15(20-18(23)14-7-8-14)9-10-17(16)22-11-5-6-12-22/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,23)
InChIKeyHUNXUQRTJTUZKT-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.12
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide

5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 771581) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
PubChem CID771581
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1
InChIInChI=1S/C19H27N3O2/c1-3-21(4-2)19(24)16-13-15(20-18(23)14-7-8-14)9-10-17(16)22-11-5-6-12-22/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,23)
InChIKeyHUNXUQRTJTUZKT-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.12
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-tert-butyl-4-[4-(cyclopropanecarbonylamino)-2-(diethylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 42675412
5-(cyclobutanecarbonylamino)-N,N-diethyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]benzamide
CID 42673096
4-[4-(cyclopentanecarbonylamino)-2-(diethylcarbamoyl)phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 42675434
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-5-(cyclopentanecarbonylamino)-N,N-diethylbenzamide
CID 42676118
5-(cyclopentanecarbonylamino)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]benzamide
CID 42673125
4-[4-(cyclopropanecarbonylamino)-2-(diethylcarbamoyl)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42673291
5-(cyclobutanecarbonylamino)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]benzamide
CID 42673121
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991
5-[(4-bromophenyl)carbamoylamino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1067188
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066980

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide (CID 771581) is 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is HUNXUQRTJTUZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-21(4-2)19(24)16-13-15(20-18(23)14-7-8-14)9-10-17(16)22-11-5-6-12-22/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,23).
What are the key properties of 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide?
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 771581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).