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

C11H15NO — CID 124705740

IUPACN-[(2S)-2-phenylbutyl]formamide
SMILESCC[C@H](CNC=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-10(8-12-9-13)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyXFXICYCLKBQOBW-SNVBAGLBSA-N
MW177.25 g/mol
LogP1.93
Rot. Bonds5

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

N-[(2S)-2-phenylbutyl]formamide (PubChem CID 124705740) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(2S)-2-phenylbutyl]formamide.

Molecular Properties

Compound NameN-[(2S)-2-phenylbutyl]formamide
PubChem CID124705740
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(2S)-2-phenylbutyl]formamide
SMILESCC[C@H](CNC=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-10(8-12-9-13)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyXFXICYCLKBQOBW-SNVBAGLBSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-phenylheptanal
CID 22053894
(3R)-3-phenylpentanal
CID 12598589
N-benzyl-2-phenylbutan-1-amine
CID 60658494
azane;pentan-3-ylbenzene
CID 19774895
2-phenylbutylurea
CID 137320233
(E)-5-phenylhept-2-enal
CID 122379804
pentan-3-ylbenzene;selenic acid
CID 175520254
3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide
CID 19909929
3-formamido-2-oxo-N-(1-phenylethyl)propanamide
CID 142267744
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
(2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid
CID 122037987

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenylbutyl]formamide?
The IUPAC name of N-[(2S)-2-phenylbutyl]formamide (CID 124705740) is N-[(2S)-2-phenylbutyl]formamide.
What is the SMILES notation for N-[(2S)-2-phenylbutyl]formamide?
The canonical SMILES for N-[(2S)-2-phenylbutyl]formamide is CC[C@H](CNC=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-phenylbutyl]formamide?
The InChIKey is XFXICYCLKBQOBW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-10(8-12-9-13)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of N-[(2S)-2-phenylbutyl]formamide?
N-[(2S)-2-phenylbutyl]formamide has a molecular weight of 177.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenylbutyl]formamide is sourced from PubChem (CID 124705740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).