3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide

C17H27N3O3 — CID 119627423

IUPAC3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1C(CC(=O)NCC(C)(C)N)NC(C)=O
InChIInChI=1S/C17H27N3O3/c1-5-23-15-9-7-6-8-13(15)14(20-12(2)21)10-16(22)19-11-17(3,4)18/h6-9,14H,5,10-11,18H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyCQPNMRSSNZGKFJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.51
Rot. Bonds8

About 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide

3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide (PubChem CID 119627423) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
PubChem CID119627423
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1C(CC(=O)NCC(C)(C)N)NC(C)=O
InChIInChI=1S/C17H27N3O3/c1-5-23-15-9-7-6-8-13(15)14(20-12(2)21)10-16(22)19-11-17(3,4)18/h6-9,14H,5,10-11,18H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyCQPNMRSSNZGKFJ-UHFFFAOYSA-N
XLogP1.51
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 119250389
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
4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119204666
3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119654044
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390
3-acetamido-N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119582642
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
CID 119566114
3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446350
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
(3S)-3-acetamido-N-[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]-3-(2-ethoxyphenyl)propanamide
CID 100739355
3-acetamido-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)propanamide
CID 42962669

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide (CID 119627423) is 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1C(CC(=O)NCC(C)(C)N)NC(C)=O.
What is the InChIKey of 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide?
The InChIKey is CQPNMRSSNZGKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-23-15-9-7-6-8-13(15)14(20-12(2)21)10-16(22)19-11-17(3,4)18/h6-9,14H,5,10-11,18H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide?
3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 119627423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).