2-tert-butyl-N-phenylheptanamide

C17H27NO — CID 67683128

IUPAC2-tert-butyl-N-phenylheptanamide
SMILESCCCCCC(C(=O)Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-5-6-8-13-15(17(2,3)4)16(19)18-14-11-9-7-10-12-14/h7,9-12,15H,5-6,8,13H2,1-4H3,(H,18,19)
InChIKeyOFGHFIDMYNARCE-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.87
Rot. Bonds6

About 2-tert-butyl-N-phenylheptanamide

2-tert-butyl-N-phenylheptanamide (PubChem CID 67683128) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-tert-butyl-N-phenylheptanamide.

Molecular Properties

Compound Name2-tert-butyl-N-phenylheptanamide
PubChem CID67683128
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-tert-butyl-N-phenylheptanamide
SMILESCCCCCC(C(=O)Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-5-6-8-13-15(17(2,3)4)16(19)18-14-11-9-7-10-12-14/h7,9-12,15H,5-6,8,13H2,1-4H3,(H,18,19)
InChIKeyOFGHFIDMYNARCE-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.87
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

2-benzoyl-N-phenylheptanamide
CID 87965233
2,4-dihydroxy-N-phenyldodecanamide
CID 91612582
2-butoxy-N-phenyldodecanamide
CID 70626065
4-amino-N-phenyldodecanamide
CID 154099763
3-pentyl-N-phenylnonanamide
CID 155185761
N-hydroxy-2-pentyl-N'-phenyloctanediamide
CID 134143927
2-methyl-N-phenylpentanamide
CID 4627801
2-(octylamino)-N-phenylpropanamide
CID 78914372
2-phenoxy-N-phenylhexanamide
CID 70624716
(1-anilino-1-oxohexan-2-yl) acetate
CID 134107020
2-bromo-N-phenylpentanamide
CID 56980184
2,2-dibromo-N-phenylnonanamide
CID 59766487

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-phenylheptanamide?
The IUPAC name of 2-tert-butyl-N-phenylheptanamide (CID 67683128) is 2-tert-butyl-N-phenylheptanamide.
What is the SMILES notation for 2-tert-butyl-N-phenylheptanamide?
The canonical SMILES for 2-tert-butyl-N-phenylheptanamide is CCCCCC(C(=O)Nc1ccccc1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-phenylheptanamide?
The InChIKey is OFGHFIDMYNARCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-6-8-13-15(17(2,3)4)16(19)18-14-11-9-7-10-12-14/h7,9-12,15H,5-6,8,13H2,1-4H3,(H,18,19).
What are the key properties of 2-tert-butyl-N-phenylheptanamide?
2-tert-butyl-N-phenylheptanamide has a molecular weight of 261.41 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-phenylheptanamide is sourced from PubChem (CID 67683128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).