2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide

C18H30N2O — CID 103604920

IUPAC2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCCCCCCC(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)10-6-4-5-9-13-19-14-18(21)20-17-12-8-7-11-16(17)3/h7-8,11-12,15,19H,4-6,9-10,13-14H2,1-3H3,(H,20,21)
InChIKeyXWANCAOHNDYTOH-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.13
Rot. Bonds10

About 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide

2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide (PubChem CID 103604920) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide
PubChem CID103604920
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCCCCCCC(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)10-6-4-5-9-13-19-14-18(21)20-17-12-8-7-11-16(17)3/h7-8,11-12,15,19H,4-6,9-10,13-14H2,1-3H3,(H,20,21)
InChIKeyXWANCAOHNDYTOH-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416
2-(7-methyloctylamino)-N-propan-2-ylacetamide
CID 103604939
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
N-(2-methylphenyl)-3-(pentylamino)propanamide
CID 109032228
2-[[2-(2-methylanilino)-2-oxoethyl]amino]ethyl carbamate
CID 83209981
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005843
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-(2-ethoxyphenyl)-2-(3-methylbutylamino)acetamide
CID 109005835

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide (CID 103604920) is 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNCCCCCCC(C)C.
What is the InChIKey of 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide?
The InChIKey is XWANCAOHNDYTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)10-6-4-5-9-13-19-14-18(21)20-17-12-8-7-11-16(17)3/h7-8,11-12,15,19H,4-6,9-10,13-14H2,1-3H3,(H,20,21).
What are the key properties of 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide?
2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide has a molecular weight of 290.45 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 103604920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).