3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide

C17H28N2O2 — CID 60936867

IUPAC3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)CCNC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-21-15-9-7-14(8-10-15)13-19(5)16(20)11-12-18-17(2,3)4/h7-10,18H,6,11-13H2,1-5H3
InChIKeyCLSJSAMZGKPCDE-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds7

About 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide

3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 60936867) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
PubChem CID60936867
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
SMILESCCOc1ccc(CN(C)C(=O)CCNC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-21-15-9-7-14(8-10-15)13-19(5)16(20)11-12-18-17(2,3)4/h7-10,18H,6,11-13H2,1-5H3
InChIKeyCLSJSAMZGKPCDE-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
N-[4-[(4-ethoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037247
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 43039190
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569435
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012601
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895070
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide (CID 60936867) is 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide is CCOc1ccc(CN(C)C(=O)CCNC(C)(C)C)cc1.
What is the InChIKey of 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is CLSJSAMZGKPCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-21-15-9-7-14(8-10-15)13-19(5)16(20)11-12-18-17(2,3)4/h7-10,18H,6,11-13H2,1-5H3.
What are the key properties of 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide?
3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 60936867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).