3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide

C15H24N2O2 — CID 64685287

IUPAC3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCc1ccc(OCCN(C)C(=O)CC(C)(C)N)cc1
InChIInChI=1S/C15H24N2O2/c1-12-5-7-13(8-6-12)19-10-9-17(4)14(18)11-15(2,3)16/h5-8H,9-11,16H2,1-4H3
InChIKeyBGQBHBDRAQIDFM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds6

About 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide

3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide (PubChem CID 64685287) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
PubChem CID64685287
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCc1ccc(OCCN(C)C(=O)CC(C)(C)N)cc1
InChIInChI=1S/C15H24N2O2/c1-12-5-7-13(8-6-12)19-10-9-17(4)14(18)11-15(2,3)16/h5-8H,9-11,16H2,1-4H3
InChIKeyBGQBHBDRAQIDFM-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
2-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695424
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
3-amino-N-(2-methoxyethyl)-N,3-dimethylbutanamide
CID 64676750
2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
CID 142802550
3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 47120479
4-[3-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-oxopropyl]benzoic acid
CID 119179858
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287117
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134049917

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
The IUPAC name of 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide (CID 64685287) is 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
The canonical SMILES for 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide is Cc1ccc(OCCN(C)C(=O)CC(C)(C)N)cc1.
What is the InChIKey of 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
The InChIKey is BGQBHBDRAQIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-5-7-13(8-6-12)19-10-9-17(4)14(18)11-15(2,3)16/h5-8H,9-11,16H2,1-4H3.
What are the key properties of 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 64685287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).