N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C16H23ClN2O2 — CID 119754032

IUPACN-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(COCC2CC2)c1)C1CCNC1
InChIInChI=1S/C16H22N2O2.ClH/c19-16(14-6-7-17-9-14)18-15-3-1-2-13(8-15)11-20-10-12-4-5-12;/h1-3,8,12,14,17H,4-7,9-11H2,(H,18,19);1H
InChIKeyAPGJERQMIJPYMJ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.58
Rot. Bonds6

About N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119754032) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119754032
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(COCC2CC2)c1)C1CCNC1
InChIInChI=1S/C16H22N2O2.ClH/c19-16(14-6-7-17-9-14)18-15-3-1-2-13(8-15)11-20-10-12-4-5-12;/h1-3,8,12,14,17H,4-7,9-11H2,(H,18,19);1H
InChIKeyAPGJERQMIJPYMJ-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754328
N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119753972
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119794538
4-(cyclopropanecarbonylamino)-N-[3-(cyclopropylmethoxymethyl)phenyl]benzamide
CID 48584588
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
methyl 2-[[3-(pyrrolidine-3-carbonylamino)phenyl]methylsulfanyl]acetate
CID 119775567

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119754032) is N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(COCC2CC2)c1)C1CCNC1.
What is the InChIKey of N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is APGJERQMIJPYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c19-16(14-6-7-17-9-14)18-15-3-1-2-13(8-15)11-20-10-12-4-5-12;/h1-3,8,12,14,17H,4-7,9-11H2,(H,18,19);1H.
What are the key properties of N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119754032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).