N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride

C16H24ClN3O2 — CID 119514556

IUPACN-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
SMILESCl.O=C(CCCNC(=O)c1ccccc1)NCC1CCCN1
InChIInChI=1S/C16H23N3O2.ClH/c20-15(19-12-14-8-4-10-17-14)9-5-11-18-16(21)13-6-2-1-3-7-13;/h1-3,6-7,14,17H,4-5,8-12H2,(H,18,21)(H,19,20);1H
InChIKeyKVEODPZJNXRNQV-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.49
Rot. Bonds7

About N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride

N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride (PubChem CID 119514556) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
PubChem CID119514556
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
SMILESCl.O=C(CCCNC(=O)c1ccccc1)NCC1CCCN1
InChIInChI=1S/C16H23N3O2.ClH/c20-15(19-12-14-8-4-10-17-14)9-5-11-18-16(21)13-6-2-1-3-7-13;/h1-3,6-7,14,17H,4-5,8-12H2,(H,18,21)(H,19,20);1H
InChIKeyKVEODPZJNXRNQV-UHFFFAOYSA-N
XLogP1.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride?
The IUPAC name of N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride (CID 119514556) is N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride?
The canonical SMILES for N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride is Cl.O=C(CCCNC(=O)c1ccccc1)NCC1CCCN1.
What is the InChIKey of N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride?
The InChIKey is KVEODPZJNXRNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c20-15(19-12-14-8-4-10-17-14)9-5-11-18-16(21)13-6-2-1-3-7-13;/h1-3,6-7,14,17H,4-5,8-12H2,(H,18,21)(H,19,20);1H.
What are the key properties of N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride?
N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride is sourced from PubChem (CID 119514556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).