N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide

C12H18N2O — CID 145164084

IUPACN-[(2S)-2-(methylamino)-4-phenylbutyl]formamide
SMILESCN[C@@H](CCc1ccccc1)CNC=O
InChIInChI=1S/C12H18N2O/c1-13-12(9-14-10-15)8-7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyQREAABSMNHPRNH-LBPRGKRZSA-N
MW206.29 g/mol
LogP0.95
Rot. Bonds7

About N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide

N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide (PubChem CID 145164084) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide.

Molecular Properties

Compound NameN-[(2S)-2-(methylamino)-4-phenylbutyl]formamide
PubChem CID145164084
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(2S)-2-(methylamino)-4-phenylbutyl]formamide
SMILESCN[C@@H](CCc1ccccc1)CNC=O
InChIInChI=1S/C12H18N2O/c1-13-12(9-14-10-15)8-7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyQREAABSMNHPRNH-LBPRGKRZSA-N
XLogP0.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
CID 59877545
CID 59877545
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
4-(methylamino)-6-phenylhexan-2-one
CID 10420495
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810
acetaldehyde;N-methyl-1-phenylbutan-2-amine
CID 156726962
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
6-methoxy-N-methyl-1-phenylheptan-3-amine
CID 105094085
methane;N-(2-phenylethyl)formamide
CID 143644399
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
N-(1-oxo-4-phenylbutan-2-yl)formamide
CID 72648475

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide?
The IUPAC name of N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide (CID 145164084) is N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide.
What is the SMILES notation for N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide?
The canonical SMILES for N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide is CN[C@@H](CCc1ccccc1)CNC=O.
What is the InChIKey of N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide?
The InChIKey is QREAABSMNHPRNH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-12(9-14-10-15)8-7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide?
N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide has a molecular weight of 206.29 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide is sourced from PubChem (CID 145164084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).