2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide

C20H26N4O3 — CID 3459744

IUPAC2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(OC)c2)ccc1N(C)C
InChIInChI=1S/C20H26N4O3/c1-5-11-21-19(25)17-13-15(9-10-18(17)24(2)3)23-20(26)22-14-7-6-8-16(12-14)27-4/h6-10,12-13H,5,11H2,1-4H3,(H,21,25)(H2,22,23,26)
InChIKeyBBVNLMYIQIKGJQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.55
Rot. Bonds7

About 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide

2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide (PubChem CID 3459744) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
PubChem CID3459744
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(OC)c2)ccc1N(C)C
InChIInChI=1S/C20H26N4O3/c1-5-11-21-19(25)17-13-15(9-10-18(17)24(2)3)23-20(26)22-14-7-6-8-16(12-14)27-4/h6-10,12-13H,5,11H2,1-4H3,(H,21,25)(H2,22,23,26)
InChIKeyBBVNLMYIQIKGJQ-UHFFFAOYSA-N
XLogP3.55
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 5145883
5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 3950818
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285
5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4265313
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
CID 42747373

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide?
The IUPAC name of 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide (CID 3459744) is 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide.
What is the SMILES notation for 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide?
The canonical SMILES for 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)Nc2cccc(OC)c2)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide?
The InChIKey is BBVNLMYIQIKGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-11-21-19(25)17-13-15(9-10-18(17)24(2)3)23-20(26)22-14-7-6-8-16(12-14)27-4/h6-10,12-13H,5,11H2,1-4H3,(H,21,25)(H2,22,23,26).
What are the key properties of 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide?
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide is sourced from PubChem (CID 3459744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).