N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide

C22H34Cl2N2O3 — CID 10623208

IUPACN-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide
SMILESCCCCCN(CCCCC)C(=O)C(CCOC)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H34Cl2N2O3/c1-4-6-8-13-26(14-9-7-5-2)22(28)18(12-15-29-3)21(27)25-17-10-11-19(23)20(24)16-17/h10-11,16,18H,4-9,12-15H2,1-3H3,(H,25,27)
InChIKeyAEPDAKQQQSNHJX-UHFFFAOYSA-N
MW445.43 g/mol
LogP5.79
Rot. Bonds14

About N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide

N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide (PubChem CID 10623208) has the molecular formula C22H34Cl2N2O3 and a molecular weight of 445.43 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide
PubChem CID10623208
Molecular FormulaC22H34Cl2N2O3
Molecular Weight445.43 g/mol
Exact Mass444.19
IUPAC NameN-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide
SMILESCCCCCN(CCCCC)C(=O)C(CCOC)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H34Cl2N2O3/c1-4-6-8-13-26(14-9-7-5-2)22(28)18(12-15-29-3)21(27)25-17-10-11-19(23)20(24)16-17/h10-11,16,18H,4-9,12-15H2,1-3H3,(H,25,27)
InChIKeyAEPDAKQQQSNHJX-UHFFFAOYSA-N
XLogP5.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.43
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[bis(3-phenylpropyl)carbamoyl]-5-(3,4-dichloroanilino)-5-oxopentanoic acid
CID 10554791
3-(3,4-dichlorophenyl)-1,1-dipentylthiourea
CID 19653299
1,1-dibutyl-3-(3,4-dichlorophenyl)thiourea
CID 19653145
4-(dipentylcarbamoyl)-5-(4-nitroanilino)-5-oxopentanoic acid
CID 10503019
N-(3-chloro-4-hydroxyphenyl)-4-methoxy-2-methylbutanamide
CID 86785937
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
nitrooxymethyl 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoate
CID 144670178
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508
2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide
CID 57239303
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide (CID 10623208) is N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide is CCCCCN(CCCCC)C(=O)C(CCOC)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide?
The InChIKey is AEPDAKQQQSNHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34Cl2N2O3/c1-4-6-8-13-26(14-9-7-5-2)22(28)18(12-15-29-3)21(27)25-17-10-11-19(23)20(24)16-17/h10-11,16,18H,4-9,12-15H2,1-3H3,(H,25,27).
What are the key properties of N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide?
N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide has a molecular weight of 445.43 g/mol, XLogP of 5.79, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-N',N'-dipentylpropanediamide is sourced from PubChem (CID 10623208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).