4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide

C15H22N4O2 — CID 119530230

IUPAC4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(NC(N)=O)cc1)C1CCNC1
InChIInChI=1S/C15H22N4O2/c1-2-9-19(13-7-8-17-10-13)14(20)11-3-5-12(6-4-11)18-15(16)21/h3-6,13,17H,2,7-10H2,1H3,(H3,16,18,21)
InChIKeyPAOCAJZZRSEMGY-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.39
Rot. Bonds5

About 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide

4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119530230) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119530230
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(NC(N)=O)cc1)C1CCNC1
InChIInChI=1S/C15H22N4O2/c1-2-9-19(13-7-8-17-10-13)14(20)11-3-5-12(6-4-11)18-15(16)21/h3-6,13,17H,2,7-10H2,1H3,(H3,16,18,21)
InChIKeyPAOCAJZZRSEMGY-UHFFFAOYSA-N
XLogP1.39
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119532098
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533288
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 119530230) is 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1ccc(NC(N)=O)cc1)C1CCNC1.
What is the InChIKey of 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is PAOCAJZZRSEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-9-19(13-7-8-17-10-13)14(20)11-3-5-12(6-4-11)18-15(16)21/h3-6,13,17H,2,7-10H2,1H3,(H3,16,18,21).
What are the key properties of 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide?
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 290.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119530230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).