N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide

C17H26N2O2 — CID 49491938

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide
SMILESCN1CCCC1CNC(=O)CCCOCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-19-11-5-9-16(19)13-18-17(20)10-6-12-21-14-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,18,20)
InChIKeyRDBSCNACCNKNKF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds8

About N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide

N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide (PubChem CID 49491938) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide
PubChem CID49491938
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide
SMILESCN1CCCC1CNC(=O)CCCOCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-19-11-5-9-16(19)13-18-17(20)10-6-12-21-14-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,18,20)
InChIKeyRDBSCNACCNKNKF-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-methylbutyl]carbamate
CID 11702208
Benzyloxycarbonyl-leucyl-leucinal
CID 456427
(S)-1-N-Cbz-prolinamide
CID 6950961
benzyl N-[(1S)-1-[(1-acetyl-4-oxopyrrolidin-3-yl)carbamoyl]-3-methylbutyl]carbamate
CID 10524384
N-Benzyloxycarbonylamino-L-alanine-2S-pyrrolidine-2-carbonitrile
CID 44543394
Benzyl 2-{[(2,2-dimethoxyethyl)amino]carbonyl}pyrrolidine-1-carboxylate
CID 5122552
{(S)-1-[(S)-2-((S)-1-Formyl-2-methyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid benzyl ester
CID 18603196
Z-Ile-Leu-aldehyde
CID 44366908
N-(4-hydroxycyclohexyl)-4-phenylmethoxybutanamide
CID 49371527
benzyl N-[(2S)-1-oxo-6-(prop-2-enoylamino)-1-pyrrolidin-1-ylhexan-2-yl]carbamate
CID 71462879
Methyl 2-{[1-(2-{[(benzyloxy)carbonyl]amino}acetyl)pyrrolidin-2-YL]formamido}propanoate
CID 19867937
Carbamic acid, (2-(2-formyl-1-pyrrolidinyl)-2-oxoethyl)-, phenylmethyl ester, (S)-
CID 3063133

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide (CID 49491938) is N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide is CN1CCCC1CNC(=O)CCCOCc1ccccc1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide?
The InChIKey is RDBSCNACCNKNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-11-5-9-16(19)13-18-17(20)10-6-12-21-14-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,18,20).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenylmethoxybutanamide is sourced from PubChem (CID 49491938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).