N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

C15H22ClN3O4 — CID 119717528

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CNCC2CC2)cc1OCC(N)=O.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-21-12-5-4-11(6-13(12)22-9-14(16)19)18-15(20)8-17-7-10-2-3-10;/h4-6,10,17H,2-3,7-9H2,1H3,(H2,16,19)(H,18,20);1H
InChIKeyQPSHJUFRMBFZQO-UHFFFAOYSA-N
MW343.81 g/mol
LogP0.92
Rot. Bonds9

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119717528) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119717528
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CNCC2CC2)cc1OCC(N)=O.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-21-12-5-4-11(6-13(12)22-9-14(16)19)18-15(20)8-17-7-10-2-3-10;/h4-6,10,17H,2-3,7-9H2,1H3,(H2,16,19)(H,18,20);1H
InChIKeyQPSHJUFRMBFZQO-UHFFFAOYSA-N
XLogP0.92
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119705687
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95595690
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717532
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119717528) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is COc1ccc(NC(=O)CNCC2CC2)cc1OCC(N)=O.Cl.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is QPSHJUFRMBFZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.ClH/c1-21-12-5-4-11(6-13(12)22-9-14(16)19)18-15(20)8-17-7-10-2-3-10;/h4-6,10,17H,2-3,7-9H2,1H3,(H2,16,19)(H,18,20);1H.
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119717528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).