N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide

C23H33N5O3 — CID 3883285

IUPACN-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)Nc2ccccc2OC)ccc1N(C)C
InChIInChI=1S/C23H33N5O3/c1-6-28(7-2)15-14-24-22(29)18-16-17(12-13-20(18)27(3)4)25-23(30)26-19-10-8-9-11-21(19)31-5/h8-13,16H,6-7,14-15H2,1-5H3,(H,24,29)(H2,25,26,30)
InChIKeyDHQLTHOBHQQXEY-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.48
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide

N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide (PubChem CID 3883285) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
PubChem CID3883285
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)Nc2ccccc2OC)ccc1N(C)C
InChIInChI=1S/C23H33N5O3/c1-6-28(7-2)15-14-24-22(29)18-16-17(12-13-20(18)27(3)4)25-23(30)26-19-10-8-9-11-21(19)31-5/h8-13,16H,6-7,14-15H2,1-5H3,(H,24,29)(H2,25,26,30)
InChIKeyDHQLTHOBHQQXEY-UHFFFAOYSA-N
XLogP3.48
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 42747759
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747663
N-[2-(diethylamino)ethyl]-5-[(2-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 4566951
N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
CID 142817541
3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
CID 42747665
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42747988
N-[2-(diethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbamoylamino]benzamide
CID 42661965
2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide
CID 87941220

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide (CID 3883285) is N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide is CCN(CC)CCNC(=O)c1cc(NC(=O)Nc2ccccc2OC)ccc1N(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide?
The InChIKey is DHQLTHOBHQQXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-6-28(7-2)15-14-24-22(29)18-16-17(12-13-20(18)27(3)4)25-23(30)26-19-10-8-9-11-21(19)31-5/h8-13,16H,6-7,14-15H2,1-5H3,(H,24,29)(H2,25,26,30).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide?
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide has a molecular weight of 427.55 g/mol, XLogP of 3.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 3883285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).