N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

C21H27ClN2O2 — CID 119773817

IUPACN-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(COc2ccc(C(C)NC(=O)C3CCNC3)cc2)c1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-15-4-3-5-17(12-15)14-25-20-8-6-18(7-9-20)16(2)23-21(24)19-10-11-22-13-19;/h3-9,12,16,19,22H,10-11,13-14H2,1-2H3,(H,23,24);1H
InChIKeyZNYXHXCWLBXHOW-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.78
Rot. Bonds6

About N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119773817) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119773817
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(COc2ccc(C(C)NC(=O)C3CCNC3)cc2)c1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-15-4-3-5-17(12-15)14-25-20-8-6-18(7-9-20)16(2)23-21(24)19-10-11-22-13-19;/h3-9,12,16,19,22H,10-11,13-14H2,1-2H3,(H,23,24);1H
InChIKeyZNYXHXCWLBXHOW-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000526
(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
CID 119317869
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
CID 119720950
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide
CID 119773812
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119773817) is N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1cccc(COc2ccc(C(C)NC(=O)C3CCNC3)cc2)c1.Cl.
What is the InChIKey of N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZNYXHXCWLBXHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-15-4-3-5-17(12-15)14-25-20-8-6-18(7-9-20)16(2)23-21(24)19-10-11-22-13-19;/h3-9,12,16,19,22H,10-11,13-14H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119773817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).