3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide

C16H26N2O2 — CID 60872199

IUPAC3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
SMILESCCOc1cccc(CNC(=O)CCNC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-20-14-8-6-7-13(11-14)12-17-15(19)9-10-18-16(2,3)4/h6-8,11,18H,5,9-10,12H2,1-4H3,(H,17,19)
InChIKeyNIPVCJFATUDSFA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds7

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

3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide (PubChem CID 60872199) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
PubChem CID60872199
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
SMILESCCOc1cccc(CNC(=O)CCNC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-20-14-8-6-7-13(11-14)12-17-15(19)9-10-18-16(2,3)4/h6-8,11,18H,5,9-10,12H2,1-4H3,(H,17,19)
InChIKeyNIPVCJFATUDSFA-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119714458
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
3-chloro-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 55245625
3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 81489935
tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide (CID 60872199) is 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide is CCOc1cccc(CNC(=O)CCNC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide?
The InChIKey is NIPVCJFATUDSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-20-14-8-6-7-13(11-14)12-17-15(19)9-10-18-16(2,3)4/h6-8,11,18H,5,9-10,12H2,1-4H3,(H,17,19).
What are the key properties of 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide?
3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 60872199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).