2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide

C21H27N3O2 — CID 42705644

IUPAC2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide
SMILESCc1ccccc1NC(=O)N(CCCNC(=O)C(C)C)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(2)20(25)22-14-9-15-24(18-11-5-4-6-12-18)21(26)23-19-13-8-7-10-17(19)3/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDESOXIXJGLIVAB-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.20
Rot. Bonds7

About 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide

2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide (PubChem CID 42705644) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide
PubChem CID42705644
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide
SMILESCc1ccccc1NC(=O)N(CCCNC(=O)C(C)C)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-16(2)20(25)22-14-9-15-24(18-11-5-4-6-12-18)21(26)23-19-13-8-7-10-17(19)3/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDESOXIXJGLIVAB-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.20
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

3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 3380556
4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705698
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea
CID 11647475
N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
CID 42702472
3-(2-methylphenyl)-1-[3-(naphthalen-2-ylsulfonylamino)propyl]-1-(4-phenoxyphenyl)urea
CID 42707044
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
CID 42707250
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
CID 42707249
N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 2271541
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide (CID 42705644) is 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide is Cc1ccccc1NC(=O)N(CCCNC(=O)C(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide?
The InChIKey is DESOXIXJGLIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)20(25)22-14-9-15-24(18-11-5-4-6-12-18)21(26)23-19-13-8-7-10-17(19)3/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide?
2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide is sourced from PubChem (CID 42705644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).