N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide

C15H24ClN3O2 — CID 109016508

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNCCN(C)C
InChIInChI=1S/C15H24ClN3O2/c1-11-9-13(14(21-4)10-12(11)16)18-15(20)5-6-17-7-8-19(2)3/h9-10,17H,5-8H2,1-4H3,(H,18,20)
InChIKeyJACLFUFFUUFAHA-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.14
Rot. Bonds8

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 109016508) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
PubChem CID109016508
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNCCN(C)C
InChIInChI=1S/C15H24ClN3O2/c1-11-9-13(14(21-4)10-12(11)16)18-15(20)5-6-17-7-8-19(2)3/h9-10,17H,5-8H2,1-4H3,(H,18,20)
InChIKeyJACLFUFFUUFAHA-UHFFFAOYSA-N
XLogP2.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025476
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020992
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
4-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045847
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113124622
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119815078
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide (CID 109016508) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCNCCN(C)C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is JACLFUFFUUFAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-11-9-13(14(21-4)10-12(11)16)18-15(20)5-6-17-7-8-19(2)3/h9-10,17H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide has a molecular weight of 313.83 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 109016508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).