3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide

C12H17ClN2O2 — CID 98784594

IUPAC3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCN)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-17-11-4-3-9(7-10(11)13)8-15-12(16)5-6-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyNBPAPNBANAVANP-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.70
Rot. Bonds6

About 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide

3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide (PubChem CID 98784594) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
PubChem CID98784594
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCN)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-17-11-4-3-9(7-10(11)13)8-15-12(16)5-6-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyNBPAPNBANAVANP-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide
CID 119293697
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119293696
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-cyanoformamide
CID 115172175
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
4-[(3-chloro-4-ethoxyphenyl)methylamino]butanoic acid
CID 102536590
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide (CID 98784594) is 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide is CCOc1ccc(CNC(=O)CCN)cc1Cl.
What is the InChIKey of 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide?
The InChIKey is NBPAPNBANAVANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-17-11-4-3-9(7-10(11)13)8-15-12(16)5-6-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide?
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide has a molecular weight of 256.73 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 98784594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).