N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C14H20ClN3O2 — CID 119321333

IUPACN-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)NCc1ccc(NC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10(18)16-9-11-4-6-12(7-5-11)17-14(19)13-3-2-8-15-13;/h4-7,13,15H,2-3,8-9H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyMBIYHVLREMUQEJ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.43
Rot. Bonds4

About N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119321333) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119321333
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)NCc1ccc(NC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10(18)16-9-11-4-6-12(7-5-11)17-14(19)13-3-2-8-15-13;/h4-7,13,15H,2-3,8-9H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyMBIYHVLREMUQEJ-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119308499
N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
CID 119328480
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
CID 119315477

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119321333) is N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is CC(=O)NCc1ccc(NC(=O)C2CCCN2)cc1.Cl.
What is the InChIKey of N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MBIYHVLREMUQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-10(18)16-9-11-4-6-12(7-5-11)17-14(19)13-3-2-8-15-13;/h4-7,13,15H,2-3,8-9H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119321333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).