2,2-dimethyl-N-(3-phenylpropyl)propanamide

C14H21NO — CID 2230496

IUPAC2,2-dimethyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,3)13(16)15-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,15,16)
InChIKeyPRLMMNSGUKMDDE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds4

About 2,2-dimethyl-N-(3-phenylpropyl)propanamide

2,2-dimethyl-N-(3-phenylpropyl)propanamide (PubChem CID 2230496) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-phenylpropyl)propanamide
PubChem CID2230496
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,2-dimethyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,3)13(16)15-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,15,16)
InChIKeyPRLMMNSGUKMDDE-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Formetamide
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Melinamide
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Santacruzamate A
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Fenaclon
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AI3-37157
CID 760213
Acetylamphetamine
CID 26660
Brn 2646116
CID 5281870
N-Phenethyl-3-phenyl-acrylamide
CID 795855

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-phenylpropyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3-phenylpropyl)propanamide (CID 2230496) is 2,2-dimethyl-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-phenylpropyl)propanamide is CC(C)(C)C(=O)NCCCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(3-phenylpropyl)propanamide?
The InChIKey is PRLMMNSGUKMDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)13(16)15-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,15,16).
What are the key properties of 2,2-dimethyl-N-(3-phenylpropyl)propanamide?
2,2-dimethyl-N-(3-phenylpropyl)propanamide has a molecular weight of 219.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 2230496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).