(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide

C16H24N2O2 — CID 164638463

IUPAC(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-13(2)10-17-16(19)18-9-8-15(11-18)20-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyNTBUURRIOBEHOB-HNNXBMFYSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds5

About (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide

(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide (PubChem CID 164638463) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
PubChem CID164638463
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-13(2)10-17-16(19)18-9-8-15(11-18)20-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyNTBUURRIOBEHOB-HNNXBMFYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
tert-butyl 3-[(4-phenylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 68530859
1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone
CID 167761394
N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 87003686
3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 75379878
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide (CID 164638463) is (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide is CC(C)CNC(=O)N1CC[C@H](OCc2ccccc2)C1.
What is the InChIKey of (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide?
The InChIKey is NTBUURRIOBEHOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)10-17-16(19)18-9-8-15(11-18)20-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide?
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 164638463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).