7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide

C17H28N2O — CID 119807713

IUPAC7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
SMILESCC(C)c1ccc(N(C)C(=O)CCCCCCN)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)15-9-11-16(12-10-15)19(3)17(20)8-6-4-5-7-13-18/h9-12,14H,4-8,13,18H2,1-3H3
InChIKeyTYONDIBRWCTLMV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.68
Rot. Bonds8

About 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide

7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide (PubChem CID 119807713) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
PubChem CID119807713
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
SMILESCC(C)c1ccc(N(C)C(=O)CCCCCCN)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)15-9-11-16(12-10-15)19(3)17(20)8-6-4-5-7-13-18/h9-12,14H,4-8,13,18H2,1-3H3
InChIKeyTYONDIBRWCTLMV-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(4-fluorophenyl)-N-methylheptanamide
CID 119729880
5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
CID 107734249
4-[5-aminopentanoyl(methyl)amino]benzoic acid
CID 104698737
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
CID 122080402
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717
N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide
CID 28768117
2-(ethylamino)-N-methyl-N-(4-propan-2-ylphenyl)acetamide
CID 115157740
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide?
The IUPAC name of 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide (CID 119807713) is 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide.
What is the SMILES notation for 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide?
The canonical SMILES for 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide is CC(C)c1ccc(N(C)C(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide?
The InChIKey is TYONDIBRWCTLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)15-9-11-16(12-10-15)19(3)17(20)8-6-4-5-7-13-18/h9-12,14H,4-8,13,18H2,1-3H3.
What are the key properties of 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide?
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide has a molecular weight of 276.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide is sourced from PubChem (CID 119807713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).