3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide

C19H31N3O3 — CID 119654044

IUPAC3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccccc1C(CC(=O)N(C)CC(C)(C)CN)NC(C)=O
InChIInChI=1S/C19H31N3O3/c1-6-25-17-10-8-7-9-15(17)16(21-14(2)23)11-18(24)22(5)13-19(3,4)12-20/h7-10,16H,6,11-13,20H2,1-5H3,(H,21,23)
InChIKeyMVKOLBGCZITHIA-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.10
Rot. Bonds9

About 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide

3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide (PubChem CID 119654044) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide
PubChem CID119654044
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccccc1C(CC(=O)N(C)CC(C)(C)CN)NC(C)=O
InChIInChI=1S/C19H31N3O3/c1-6-25-17-10-8-7-9-15(17)16(21-14(2)23)11-18(24)22(5)13-19(3,4)12-20/h7-10,16H,6,11-13,20H2,1-5H3,(H,21,23)
InChIKeyMVKOLBGCZITHIA-UHFFFAOYSA-N
XLogP2.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119582642
3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
CID 119627423
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 119250389
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 119237711
3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120830987
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
CID 119566114
4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119204666
N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660570
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
3-acetamido-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)propanamide
CID 42962669

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide (CID 119654044) is 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide is CCOc1ccccc1C(CC(=O)N(C)CC(C)(C)CN)NC(C)=O.
What is the InChIKey of 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide?
The InChIKey is MVKOLBGCZITHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-6-25-17-10-8-7-9-15(17)16(21-14(2)23)11-18(24)22(5)13-19(3,4)12-20/h7-10,16H,6,11-13,20H2,1-5H3,(H,21,23).
What are the key properties of 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide?
3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 119654044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).