N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C17H24N2O3 — CID 119811430

IUPACN-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(O)CN2)c(OCC2CC2)c1
InChIInChI=1S/C17H24N2O3/c1-11-2-5-13(16(6-11)22-10-12-3-4-12)8-19-17(21)15-7-14(20)9-18-15/h2,5-6,12,14-15,18,20H,3-4,7-10H2,1H3,(H,19,21)
InChIKeyFVDGTOYSDHJLKM-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.12
Rot. Bonds6

About N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119811430) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119811430
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(O)CN2)c(OCC2CC2)c1
InChIInChI=1S/C17H24N2O3/c1-11-2-5-13(16(6-11)22-10-12-3-4-12)8-19-17(21)15-7-14(20)9-18-15/h2,5-6,12,14-15,18,20H,3-4,7-10H2,1H3,(H,19,21)
InChIKeyFVDGTOYSDHJLKM-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-4-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119811235
(2R,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587807
(2S,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587806
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide
CID 120593809
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]urea
CID 97055333
3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide
CID 119811442
N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119339535
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637313
4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119797799
(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119811430) is N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is Cc1ccc(CNC(=O)C2CC(O)CN2)c(OCC2CC2)c1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is FVDGTOYSDHJLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-2-5-13(16(6-11)22-10-12-3-4-12)8-19-17(21)15-7-14(20)9-18-15/h2,5-6,12,14-15,18,20H,3-4,7-10H2,1H3,(H,19,21).
What are the key properties of N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119811430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).