2-acetyl-N-phenyl-2-propan-2-ylheptanamide

C18H27NO2 — CID 24972977

IUPAC2-acetyl-N-phenyl-2-propan-2-ylheptanamide
SMILESCCCCCC(C(C)=O)(C(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C18H27NO2/c1-5-6-10-13-18(14(2)3,15(4)20)17(21)19-16-11-8-7-9-12-16/h7-9,11-12,14H,5-6,10,13H2,1-4H3,(H,19,21)
InChIKeyJVWFFNMPHVDSNB-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.44
Rot. Bonds8

About 2-acetyl-N-phenyl-2-propan-2-ylheptanamide

2-acetyl-N-phenyl-2-propan-2-ylheptanamide (PubChem CID 24972977) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-acetyl-N-phenyl-2-propan-2-ylheptanamide.

Molecular Properties

Compound Name2-acetyl-N-phenyl-2-propan-2-ylheptanamide
PubChem CID24972977
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-acetyl-N-phenyl-2-propan-2-ylheptanamide
SMILESCCCCCC(C(C)=O)(C(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C18H27NO2/c1-5-6-10-13-18(14(2)3,15(4)20)17(21)19-16-11-8-7-9-12-16/h7-9,11-12,14H,5-6,10,13H2,1-4H3,(H,19,21)
InChIKeyJVWFFNMPHVDSNB-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dibromo-N-phenylnonanamide
CID 59766487
2-methyl-N-phenyl-2-trimethylsilylheptanamide
CID 10334484
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate
CID 23672129
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
dodecyl N-phenylcarbamate
CID 521818
2-anilino-2-decyltridecanoic acid
CID 139977207
2-nonoxy-3-oxo-N-phenylbutanamide
CID 20558460
2-tert-butyl-N-phenylheptanamide
CID 67683128
2-(octylamino)-N-phenylpropanamide
CID 78914372

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-phenyl-2-propan-2-ylheptanamide?
The IUPAC name of 2-acetyl-N-phenyl-2-propan-2-ylheptanamide (CID 24972977) is 2-acetyl-N-phenyl-2-propan-2-ylheptanamide.
What is the SMILES notation for 2-acetyl-N-phenyl-2-propan-2-ylheptanamide?
The canonical SMILES for 2-acetyl-N-phenyl-2-propan-2-ylheptanamide is CCCCCC(C(C)=O)(C(=O)Nc1ccccc1)C(C)C.
What is the InChIKey of 2-acetyl-N-phenyl-2-propan-2-ylheptanamide?
The InChIKey is JVWFFNMPHVDSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-6-10-13-18(14(2)3,15(4)20)17(21)19-16-11-8-7-9-12-16/h7-9,11-12,14H,5-6,10,13H2,1-4H3,(H,19,21).
What are the key properties of 2-acetyl-N-phenyl-2-propan-2-ylheptanamide?
2-acetyl-N-phenyl-2-propan-2-ylheptanamide has a molecular weight of 289.42 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-phenyl-2-propan-2-ylheptanamide is sourced from PubChem (CID 24972977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).