N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide

C19H30ClN3O2 — CID 56540193

IUPACN-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C19H30ClN3O2/c1-5-12-23(13-6-2)19(25)9-7-8-18(24)21-15-10-11-17(22(3)4)16(20)14-15/h10-11,14H,5-9,12-13H2,1-4H3,(H,21,24)
InChIKeyVJCLBJLMPVALHJ-UHFFFAOYSA-N
MW367.92 g/mol
LogP4.16
Rot. Bonds10

About N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide

N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide (PubChem CID 56540193) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
PubChem CID56540193
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C19H30ClN3O2/c1-5-12-23(13-6-2)19(25)9-7-8-18(24)21-15-10-11-17(22(3)4)16(20)14-15/h10-11,14H,5-9,12-13H2,1-4H3,(H,21,24)
InChIKeyVJCLBJLMPVALHJ-UHFFFAOYSA-N
XLogP4.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474
N-[3-chloro-4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)propanamide;formic acid
CID 154913108
N-(6-amino-3-pyridinyl)-N',N'-dipropylpentanediamide
CID 119516549
N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
CID 56553165
N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide
CID 56538840
2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
CID 54862720
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
CID 51124450
2-methylpropyl N-[3-[[5-(dipropylamino)-5-oxopentanoyl]amino]phenyl]carbamate
CID 56552310
3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
CID 109033088
4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 81076197
2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
CID 79473066

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide (CID 56540193) is N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)Nc1ccc(N(C)C)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide?
The InChIKey is VJCLBJLMPVALHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O2/c1-5-12-23(13-6-2)19(25)9-7-8-18(24)21-15-10-11-17(22(3)4)16(20)14-15/h10-11,14H,5-9,12-13H2,1-4H3,(H,21,24).
What are the key properties of N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide?
N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide has a molecular weight of 367.92 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56540193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).