3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide

C19H30N2O2 — CID 111443553

IUPAC3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)N2CCC(CO)C2)C(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-13(2)16-5-7-17(8-6-16)18(14(3)4)20-19(23)21-10-9-15(11-21)12-22/h5-8,13-15,18,22H,9-12H2,1-4H3,(H,20,23)
InChIKeyMPGCSZPYUWJAMP-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.53
Rot. Bonds5

About 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide (PubChem CID 111443553) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
PubChem CID111443553
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)N2CCC(CO)C2)C(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-13(2)16-5-7-17(8-6-16)18(14(3)4)20-19(23)21-10-9-15(11-21)12-22/h5-8,13-15,18,22H,9-12H2,1-4H3,(H,20,23)
InChIKeyMPGCSZPYUWJAMP-UHFFFAOYSA-N
XLogP3.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide
CID 122150335
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-1-carboxamide
CID 111443965
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97328185
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197
1-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110633160
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443595
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 113356014
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide (CID 111443553) is 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide is CC(C)c1ccc(C(NC(=O)N2CCC(CO)C2)C(C)C)cc1.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is MPGCSZPYUWJAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(2)16-5-7-17(8-6-16)18(14(3)4)20-19(23)21-10-9-15(11-21)12-22/h5-8,13-15,18,22H,9-12H2,1-4H3,(H,20,23).
What are the key properties of 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).