3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide

C19H29N3O3 — CID 119566114

IUPAC3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1C(CC(=O)NC1(CN)CCCC1)NC(C)=O
InChIInChI=1S/C19H29N3O3/c1-3-25-17-9-5-4-8-15(17)16(21-14(2)23)12-18(24)22-19(13-20)10-6-7-11-19/h4-5,8-9,16H,3,6-7,10-13,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyILNGOFMTKTXGIZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.04
Rot. Bonds8

About 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide

3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide (PubChem CID 119566114) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
PubChem CID119566114
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1C(CC(=O)NC1(CN)CCCC1)NC(C)=O
InChIInChI=1S/C19H29N3O3/c1-3-25-17-9-5-4-8-15(17)16(21-14(2)23)12-18(24)22-19(13-20)10-6-7-11-19/h4-5,8-9,16H,3,6-7,10-13,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyILNGOFMTKTXGIZ-UHFFFAOYSA-N
XLogP2.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
CID 119627423
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119567384
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-N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119582642
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 119566320
3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120830987
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 119250389
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
CID 119456660
3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119654044
N-[3-[[1-(aminomethyl)cyclopentyl]amino]-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119567989
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
CID 63754045

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide (CID 119566114) is 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1C(CC(=O)NC1(CN)CCCC1)NC(C)=O.
What is the InChIKey of 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide?
The InChIKey is ILNGOFMTKTXGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-17-9-5-4-8-15(17)16(21-14(2)23)12-18(24)22-19(13-20)10-6-7-11-19/h4-5,8-9,16H,3,6-7,10-13,20H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide?
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 119566114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).