4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide

C15H24N2O2 — CID 119802582

IUPAC4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)19-14-8-7-13(10-12(14)3)17-15(18)6-5-9-16-4/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyZPHQAGHAKVFCJI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.72
Rot. Bonds7

About 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide

4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide (PubChem CID 119802582) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
PubChem CID119802582
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)19-14-8-7-13(10-12(14)3)17-15(18)6-5-9-16-4/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyZPHQAGHAKVFCJI-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide
CID 60840814
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
4-(2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 167745572
4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122085552
N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
CID 114250285
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
2-(cyclopropylmethylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 119802601
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide (CID 119802582) is 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide is CNCCCC(=O)Nc1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide?
The InChIKey is ZPHQAGHAKVFCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)19-14-8-7-13(10-12(14)3)17-15(18)6-5-9-16-4/h7-8,10-11,16H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide?
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 119802582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).