N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide

C16H23NO — CID 11288047

IUPACN-benzyl-N-(2-ethenyl-3-methylpentyl)formamide
SMILESC=CC(CN(C=O)Cc1ccccc1)C(C)CC
InChIInChI=1S/C16H23NO/c1-4-14(3)16(5-2)12-17(13-18)11-15-9-7-6-8-10-15/h5-10,13-14,16H,2,4,11-12H2,1,3H3
InChIKeyYPJJCRKVNAMQKI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.49
Rot. Bonds8

About N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide

N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide (PubChem CID 11288047) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide.

Molecular Properties

Compound NameN-benzyl-N-(2-ethenyl-3-methylpentyl)formamide
PubChem CID11288047
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-benzyl-N-(2-ethenyl-3-methylpentyl)formamide
SMILESC=CC(CN(C=O)Cc1ccccc1)C(C)CC
InChIInChI=1S/C16H23NO/c1-4-14(3)16(5-2)12-17(13-18)11-15-9-7-6-8-10-15/h5-10,13-14,16H,2,4,11-12H2,1,3H3
InChIKeyYPJJCRKVNAMQKI-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine
CID 10059288
N,N-dibenzylformamide;N,N-diethylformamide;methane
CID 160532713
N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide
CID 134849487
N-benzyl-N-[8-(dimethylamino)octyl]formamide
CID 173398538
(3R,4S)-4-(dibenzylamino)-3-ethenylheptanal
CID 46218091
benzyl(butan-2-yl)carbamic acid
CID 18954164
N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine
CID 142160698
N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
CID 143178304
N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride
CID 141259839
N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide
CID 170006039
N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate
CID 57368596
N-benzyl-N-[(5-methyl-2-pyridinyl)methyl]formamide
CID 169111032

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide?
The IUPAC name of N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide (CID 11288047) is N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide.
What is the SMILES notation for N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide?
The canonical SMILES for N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide is C=CC(CN(C=O)Cc1ccccc1)C(C)CC.
What is the InChIKey of N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide?
The InChIKey is YPJJCRKVNAMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-14(3)16(5-2)12-17(13-18)11-15-9-7-6-8-10-15/h5-10,13-14,16H,2,4,11-12H2,1,3H3.
What are the key properties of N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide?
N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide has a molecular weight of 245.37 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide is sourced from PubChem (CID 11288047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).