N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide

C14H22ClN3O — CID 43405018

IUPACN-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCCCN(C)C
InChIInChI=1S/C14H22ClN3O/c1-11-5-6-12(15)9-13(11)17-14(19)10-16-7-4-8-18(2)3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyIVUAZXVUEGNXBB-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.13
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide (PubChem CID 43405018) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
PubChem CID43405018
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCCCN(C)C
InChIInChI=1S/C14H22ClN3O/c1-11-5-6-12(15)9-13(11)17-14(19)10-16-7-4-8-18(2)3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyIVUAZXVUEGNXBB-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064494
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672
N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
CID 106211851
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995126
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
4-chloro-3-[[2-[3-(dimethylamino)propylamino]acetyl]amino]benzoic acid
CID 103235957
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
CID 79352093
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide (CID 43405018) is N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNCCCN(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
The InChIKey is IVUAZXVUEGNXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-11-5-6-12(15)9-13(11)17-14(19)10-16-7-4-8-18(2)3/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide has a molecular weight of 283.80 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide is sourced from PubChem (CID 43405018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).