2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C16H26N2O2 — CID 54815317

IUPAC2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCCCNCC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-5-10-17-12-16(19)18-11-14-6-8-15(9-7-14)20-13(2)3/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyCWELQKYZJLAIAW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds9

About 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 54815317) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID54815317
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCCCNCC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-5-10-17-12-16(19)18-11-14-6-8-15(9-7-14)20-13(2)3/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyCWELQKYZJLAIAW-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
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

2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54820264
2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 54814460
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
N-butyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845454
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54831154
N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 60956727

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 54815317) is 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CCCCNCC(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is CWELQKYZJLAIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-10-17-12-16(19)18-11-14-6-8-15(9-7-14)20-13(2)3/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,19).
What are the key properties of 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 54815317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).