N-(1-phenylpentan-2-yl)formamide

C12H17NO — CID 87974467

IUPACN-(1-phenylpentan-2-yl)formamide
SMILESCCCC(Cc1ccccc1)NC=O
InChIInChI=1S/C12H17NO/c1-2-6-12(13-10-14)9-11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3,(H,13,14)
InChIKeyYOVDCUZOTWGEHX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.14
Rot. Bonds6

About N-(1-phenylpentan-2-yl)formamide

N-(1-phenylpentan-2-yl)formamide (PubChem CID 87974467) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(1-phenylpentan-2-yl)formamide.

Molecular Properties

Compound NameN-(1-phenylpentan-2-yl)formamide
PubChem CID87974467
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(1-phenylpentan-2-yl)formamide
SMILESCCCC(Cc1ccccc1)NC=O
InChIInChI=1S/C12H17NO/c1-2-6-12(13-10-14)9-11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3,(H,13,14)
InChIKeyYOVDCUZOTWGEHX-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.14
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

N-heptan-4-ylformamide
CID 14473374
(2R)-N-diphenylphosphoryl-1-phenylpentan-2-amine
CID 14934133
2-(1-phenylpentan-2-ylamino)propanoic acid
CID 122035581
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
acetaldehyde;N-methyl-1-phenylbutan-2-amine
CID 156726962
N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
CID 89181328
2-(1-phenylpentan-2-ylamino)hexanoic acid
CID 122039601
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
ethane;ethyl 2-benzyl-3-oxopropanoate
CID 91521387
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentan-2-yl)formamide?
The IUPAC name of N-(1-phenylpentan-2-yl)formamide (CID 87974467) is N-(1-phenylpentan-2-yl)formamide.
What is the SMILES notation for N-(1-phenylpentan-2-yl)formamide?
The canonical SMILES for N-(1-phenylpentan-2-yl)formamide is CCCC(Cc1ccccc1)NC=O.
What is the InChIKey of N-(1-phenylpentan-2-yl)formamide?
The InChIKey is YOVDCUZOTWGEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-6-12(13-10-14)9-11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3,(H,13,14).
What are the key properties of N-(1-phenylpentan-2-yl)formamide?
N-(1-phenylpentan-2-yl)formamide has a molecular weight of 191.27 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentan-2-yl)formamide is sourced from PubChem (CID 87974467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).