2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide

C14H21ClN2O3 — CID 43221381

IUPAC2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H21ClN2O3/c1-4-5-17-13(18)9-16-8-10-6-11(15)14(20-3)12(7-10)19-2/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyIROHWIPFMIRVHS-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.97
Rot. Bonds8

About 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide

2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide (PubChem CID 43221381) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
PubChem CID43221381
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H21ClN2O3/c1-4-5-17-13(18)9-16-8-10-6-11(15)14(20-3)12(7-10)19-2/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyIROHWIPFMIRVHS-UHFFFAOYSA-N
XLogP1.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
CID 43406327
ethyl 4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butanoate
CID 64579502
[2-oxo-2-(propylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 17497937
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78978873
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17292224
N-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43213831
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17210561
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
CID 60879110
2-(cyclopropylmethylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119691576

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide (CID 43221381) is 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide?
The InChIKey is IROHWIPFMIRVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-4-5-17-13(18)9-16-8-10-6-11(15)14(20-3)12(7-10)19-2/h6-7,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide?
2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide has a molecular weight of 300.79 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide is sourced from PubChem (CID 43221381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).