N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide

C17H26N4O2 — CID 118781403

IUPACN-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)NCC[C@@H]2CCCN2)cc1
InChIInChI=1S/C17H26N4O2/c1-2-10-19-16(22)13-5-7-15(8-6-13)21-17(23)20-12-9-14-4-3-11-18-14/h5-8,14,18H,2-4,9-12H2,1H3,(H,19,22)(H2,20,21,23)/t14-/m0/s1
InChIKeyOSMQCKNAOSGUAM-AWEZNQCLSA-N
MW318.42 g/mol
LogP2.09
Rot. Bonds7

About N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide

N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide (PubChem CID 118781403) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide
PubChem CID118781403
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)NCC[C@@H]2CCCN2)cc1
InChIInChI=1S/C17H26N4O2/c1-2-10-19-16(22)13-5-7-15(8-6-13)21-17(23)20-12-9-14-4-3-11-18-14/h5-8,14,18H,2-4,9-12H2,1H3,(H,19,22)(H2,20,21,23)/t14-/m0/s1
InChIKeyOSMQCKNAOSGUAM-AWEZNQCLSA-N
XLogP2.09
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[2-[(2S)-pyrrolidin-2-yl]ethyl]urea
CID 104972330
1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea
CID 24703297
1-(3-chloro-4-methylphenyl)-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794048
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793978
N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
CID 104971690

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide?
The IUPAC name of N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide (CID 118781403) is N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide.
What is the SMILES notation for N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide?
The canonical SMILES for N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide is CCCNC(=O)c1ccc(NC(=O)NCC[C@@H]2CCCN2)cc1.
What is the InChIKey of N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide?
The InChIKey is OSMQCKNAOSGUAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-10-19-16(22)13-5-7-15(8-6-13)21-17(23)20-12-9-14-4-3-11-18-14/h5-8,14,18H,2-4,9-12H2,1H3,(H,19,22)(H2,20,21,23)/t14-/m0/s1.
What are the key properties of N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide?
N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide is sourced from PubChem (CID 118781403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).