N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide

C16H24N2O2 — CID 119750683

IUPACN-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1CCNC1)COCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(9-18-16(19)15-7-8-17-10-15)11-20-12-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3,(H,18,19)
InChIKeyVTMWQTRFJIJDGY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.57
Rot. Bonds7

About N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide

N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide (PubChem CID 119750683) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
PubChem CID119750683
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1CCNC1)COCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(9-18-16(19)15-7-8-17-10-15)11-20-12-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3,(H,18,19)
InChIKeyVTMWQTRFJIJDGY-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-methyl-3-phenylmethoxypropyl)cyclopentane-1-carboxamide
CID 110015433
N-(1-phenylmethoxypropan-2-yl)piperidine-3-carboxamide
CID 119335297
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119794538
N-(2-methyl-3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119750679
N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
CID 65036211
benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate
CID 54157501
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
5-methyl-N-(2-methyl-3-phenylmethoxypropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119750635
benzyl (2S)-2-acetamido-3-[[(3R)-piperidine-3-carbonyl]amino]propanoate;hydrochloride
CID 86588489
N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 63959969
N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119804506

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide (CID 119750683) is N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide is CC(CNC(=O)C1CCNC1)COCc1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is VTMWQTRFJIJDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(9-18-16(19)15-7-8-17-10-15)11-20-12-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119750683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).