2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide

C16H26N2O2 — CID 61168701

IUPAC2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(OCC(C)NC(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)17-16(19)14(5)18-13(4)10-20-15-8-6-12(3)7-9-15/h6-9,11,13-14,18H,10H2,1-5H3,(H,17,19)
InChIKeyGXERUMXZLMXICS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.27
Rot. Bonds7

About 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide

2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide (PubChem CID 61168701) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide
PubChem CID61168701
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(OCC(C)NC(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)17-16(19)14(5)18-13(4)10-20-15-8-6-12(3)7-9-15/h6-9,11,13-14,18H,10H2,1-5H3,(H,17,19)
InChIKeyGXERUMXZLMXICS-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]butanoic acid
CID 103242905
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 81088183
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
CID 63452663
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 79793690

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide (CID 61168701) is 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide is Cc1ccc(OCC(C)NC(C)C(=O)NC(C)C)cc1.
What is the InChIKey of 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide?
The InChIKey is GXERUMXZLMXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)17-16(19)14(5)18-13(4)10-20-15-8-6-12(3)7-9-15/h6-9,11,13-14,18H,10H2,1-5H3,(H,17,19).
What are the key properties of 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide?
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 61168701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).