N-(2-phenylpropylideneamino)heptanamide

C16H24N2O — CID 4588696

IUPACN-(2-phenylpropylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=CC(C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-4-5-9-12-16(19)18-17-13-14(2)15-10-7-6-8-11-15/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3,(H,18,19)
InChIKeyJWHLQDWGYIOJRM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.86
Rot. Bonds8

About N-(2-phenylpropylideneamino)heptanamide

N-(2-phenylpropylideneamino)heptanamide (PubChem CID 4588696) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-phenylpropylideneamino)heptanamide.

Molecular Properties

Compound NameN-(2-phenylpropylideneamino)heptanamide
PubChem CID4588696
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-phenylpropylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=CC(C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-4-5-9-12-16(19)18-17-13-14(2)15-10-7-6-8-11-15/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3,(H,18,19)
InChIKeyJWHLQDWGYIOJRM-UHFFFAOYSA-N
XLogP3.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-(2-phenylethylideneamino)nonanamide
CID 3280851
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide
CID 4222006
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropylideneamino)heptanamide?
The IUPAC name of N-(2-phenylpropylideneamino)heptanamide (CID 4588696) is N-(2-phenylpropylideneamino)heptanamide.
What is the SMILES notation for N-(2-phenylpropylideneamino)heptanamide?
The canonical SMILES for N-(2-phenylpropylideneamino)heptanamide is CCCCCCC(=O)NN=CC(C)c1ccccc1.
What is the InChIKey of N-(2-phenylpropylideneamino)heptanamide?
The InChIKey is JWHLQDWGYIOJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-4-5-9-12-16(19)18-17-13-14(2)15-10-7-6-8-11-15/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-phenylpropylideneamino)heptanamide?
N-(2-phenylpropylideneamino)heptanamide has a molecular weight of 260.38 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropylideneamino)heptanamide is sourced from PubChem (CID 4588696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).