N,N,2,2-tetramethyl-7-phenylheptanamide

C17H27NO — CID 142211557

IUPACN,N,2,2-tetramethyl-7-phenylheptanamide
SMILESCN(C)C(=O)C(C)(C)CCCCCc1ccccc1
InChIInChI=1S/C17H27NO/c1-17(2,16(19)18(3)4)14-10-6-9-13-15-11-7-5-8-12-15/h5,7-8,11-12H,6,9-10,13-14H2,1-4H3
InChIKeyQQMPMQZPPCZTOQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.90
Rot. Bonds7

About N,N,2,2-tetramethyl-7-phenylheptanamide

N,N,2,2-tetramethyl-7-phenylheptanamide (PubChem CID 142211557) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-7-phenylheptanamide.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-7-phenylheptanamide
PubChem CID142211557
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN,N,2,2-tetramethyl-7-phenylheptanamide
SMILESCN(C)C(=O)C(C)(C)CCCCCc1ccccc1
InChIInChI=1S/C17H27NO/c1-17(2,16(19)18(3)4)14-10-6-9-13-15-11-7-5-8-12-15/h5,7-8,11-12H,6,9-10,13-14H2,1-4H3
InChIKeyQQMPMQZPPCZTOQ-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
7-[3-(6-carboxy-6-methylheptyl)phenyl]-2,2-dimethylheptanoic acid
CID 155770738
3,3-dimethyl-15-phenylpentadecanoic acid
CID 2737130
2-tert-butyl-2-(5-phenylpentyl)propanedioic acid
CID 139782915
27,27-dimethyloctacosylbenzene
CID 140589361
2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid
CID 119228008
2-methyl-6-phenylhexan-2-ol
CID 12716611
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
2,2-difluoro-14-phenyltetradecanoic acid
CID 67700090
2,2-dihydroxy-22-phenyldocosanoic acid
CID 54471325
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-7-phenylheptanamide?
The IUPAC name of N,N,2,2-tetramethyl-7-phenylheptanamide (CID 142211557) is N,N,2,2-tetramethyl-7-phenylheptanamide.
What is the SMILES notation for N,N,2,2-tetramethyl-7-phenylheptanamide?
The canonical SMILES for N,N,2,2-tetramethyl-7-phenylheptanamide is CN(C)C(=O)C(C)(C)CCCCCc1ccccc1.
What is the InChIKey of N,N,2,2-tetramethyl-7-phenylheptanamide?
The InChIKey is QQMPMQZPPCZTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,16(19)18(3)4)14-10-6-9-13-15-11-7-5-8-12-15/h5,7-8,11-12H,6,9-10,13-14H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-7-phenylheptanamide?
N,N,2,2-tetramethyl-7-phenylheptanamide has a molecular weight of 261.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-7-phenylheptanamide is sourced from PubChem (CID 142211557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).