N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide

C18H30N2O — CID 43672857

IUPACN-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
SMILESCCCCCCCC(C)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C18H30N2O/c1-5-6-7-8-9-10-15(3)19-17-11-12-18(14(2)13-17)20-16(4)21/h11-13,15,19H,5-10H2,1-4H3,(H,20,21)
InChIKeyMUSNPKOQXSYZFV-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.11
Rot. Bonds9

About N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide

N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide (PubChem CID 43672857) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
PubChem CID43672857
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
SMILESCCCCCCCC(C)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C18H30N2O/c1-5-6-7-8-9-10-15(3)19-17-11-12-18(14(2)13-17)20-16(4)21/h11-13,15,19H,5-10H2,1-4H3,(H,20,21)
InChIKeyMUSNPKOQXSYZFV-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.11
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-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide
CID 60927482
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
3-methyl-4-(nonan-2-ylamino)benzoic acid
CID 43736082
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
4-methoxy-3-methyl-N-nonan-2-ylaniline
CID 55193321
2-methyl-4-(octan-2-ylamino)benzonitrile
CID 81273026
2-fluoro-4-(hexadecan-2-ylamino)benzoic acid
CID 20536551
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline
CID 63451459

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide (CID 43672857) is N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide is CCCCCCCC(C)Nc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide?
The InChIKey is MUSNPKOQXSYZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-6-7-8-9-10-15(3)19-17-11-12-18(14(2)13-17)20-16(4)21/h11-13,15,19H,5-10H2,1-4H3,(H,20,21).
What are the key properties of N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide?
N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide has a molecular weight of 290.45 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 43672857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).