N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C17H24N2O3 — CID 111443595

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCC(CO)C2)C2CC2)cc1
InChIInChI=1S/C17H24N2O3/c1-22-15-6-4-14(5-7-15)16(13-2-3-13)18-17(21)19-9-8-12(10-19)11-20/h4-7,12-13,16,20H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyRSAHEEVYDDKQIV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.17
Rot. Bonds5

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111443595) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111443595
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCC(CO)C2)C2CC2)cc1
InChIInChI=1S/C17H24N2O3/c1-22-15-6-4-14(5-7-15)16(13-2-3-13)18-17(21)19-9-8-12(10-19)11-20/h4-7,12-13,16,20H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyRSAHEEVYDDKQIV-UHFFFAOYSA-N
XLogP2.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 110882626
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
4-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 111507660
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 42934746
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
3-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 71868016
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111443595) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is COc1ccc(C(NC(=O)N2CCC(CO)C2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is RSAHEEVYDDKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-15-6-4-14(5-7-15)16(13-2-3-13)18-17(21)19-9-8-12(10-19)11-20/h4-7,12-13,16,20H,2-3,8-11H2,1H3,(H,18,21).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).