2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide

C22H30N4O2 — CID 3417510

IUPAC2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2ccc(C(C)C)cc2)ccc1N(C)C
InChIInChI=1S/C22H30N4O2/c1-6-13-23-21(27)19-14-18(11-12-20(19)26(4)5)25-22(28)24-17-9-7-16(8-10-17)15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,23,27)(H2,24,25,28)
InChIKeyWYTXXQSFAWRTIL-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.66
Rot. Bonds7

About 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide

2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide (PubChem CID 3417510) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
PubChem CID3417510
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2ccc(C(C)C)cc2)ccc1N(C)C
InChIInChI=1S/C22H30N4O2/c1-6-13-23-21(27)19-14-18(11-12-20(19)26(4)5)25-22(28)24-17-9-7-16(8-10-17)15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,23,27)(H2,24,25,28)
InChIKeyWYTXXQSFAWRTIL-UHFFFAOYSA-N
XLogP4.66
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.66
H-Bond Donors ≤ 53
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-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
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-phenylbutanoylamino)-N-propylbenzamide
CID 42747373
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide
CID 3297823
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 5145883

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide?
The IUPAC name of 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide (CID 3417510) is 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide.
What is the SMILES notation for 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide?
The canonical SMILES for 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)Nc2ccc(C(C)C)cc2)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide?
The InChIKey is WYTXXQSFAWRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-6-13-23-21(27)19-14-18(11-12-20(19)26(4)5)25-22(28)24-17-9-7-16(8-10-17)15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,23,27)(H2,24,25,28).
What are the key properties of 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide?
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide has a molecular weight of 382.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide is sourced from PubChem (CID 3417510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).