N-(3-phenylpropoxy)heptanamide

C16H25NO2 — CID 139933276

IUPACN-(3-phenylpropoxy)heptanamide
SMILESCCCCCCC(=O)NOCCCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-8-13-16(18)17-19-14-9-12-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3,(H,17,18)
InChIKeyVCOIQJNSBPQXBC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.64
Rot. Bonds10

About N-(3-phenylpropoxy)heptanamide

N-(3-phenylpropoxy)heptanamide (PubChem CID 139933276) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-phenylpropoxy)heptanamide.

Molecular Properties

Compound NameN-(3-phenylpropoxy)heptanamide
PubChem CID139933276
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-phenylpropoxy)heptanamide
SMILESCCCCCCC(=O)NOCCCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-8-13-16(18)17-19-14-9-12-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3,(H,17,18)
InChIKeyVCOIQJNSBPQXBC-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenylmethoxyhexanamide
CID 60717350
1-O-decyl 10-O-(3-phenylpropyl) decanedioate
CID 91710196
2-(3-phenylpropoxyamino)oct-2-enoic acid
CID 57165064
1-O-octyl 4-O-(3-phenylpropyl) (E)-but-2-enedioate
CID 91710158
5-phenylpentyl octanoate
CID 102283660
decyl 5-phenylpentanoate
CID 91723581
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
N-(4-phenylbutyl)hexanamide
CID 4985988
heptyl 7-phenylheptyl carbonate
CID 67251382
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
1-O-nonyl 2-O-(3-phenylpropyl) benzene-1,2-dicarboxylate
CID 6422370

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropoxy)heptanamide?
The IUPAC name of N-(3-phenylpropoxy)heptanamide (CID 139933276) is N-(3-phenylpropoxy)heptanamide.
What is the SMILES notation for N-(3-phenylpropoxy)heptanamide?
The canonical SMILES for N-(3-phenylpropoxy)heptanamide is CCCCCCC(=O)NOCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropoxy)heptanamide?
The InChIKey is VCOIQJNSBPQXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-8-13-16(18)17-19-14-9-12-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3,(H,17,18).
What are the key properties of N-(3-phenylpropoxy)heptanamide?
N-(3-phenylpropoxy)heptanamide has a molecular weight of 263.38 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropoxy)heptanamide is sourced from PubChem (CID 139933276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).