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

C20H23N5O2 — CID 3950818

IUPAC5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(C#N)c2)ccc1N(C)C
InChIInChI=1S/C20H23N5O2/c1-4-10-22-19(26)17-12-16(8-9-18(17)25(2)3)24-20(27)23-15-7-5-6-14(11-15)13-21/h5-9,11-12H,4,10H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyKLWMUQQJZIQBMZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.41
Rot. Bonds6

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

5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide (PubChem CID 3950818) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide.

Molecular Properties

Compound Name5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
PubChem CID3950818
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(C#N)c2)ccc1N(C)C
InChIInChI=1S/C20H23N5O2/c1-4-10-22-19(26)17-12-16(8-9-18(17)25(2)3)24-20(27)23-15-7-5-6-14(11-15)13-21/h5-9,11-12H,4,10H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyKLWMUQQJZIQBMZ-UHFFFAOYSA-N
XLogP3.41
TPSA97.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.41
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

2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
1-(3-cyanophenyl)-3-propylthiourea
CID 7941260
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
CID 42747373
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide?
The IUPAC name of 5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide (CID 3950818) is 5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide.
What is the SMILES notation for 5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide?
The canonical SMILES for 5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)Nc2cccc(C#N)c2)ccc1N(C)C.
What is the InChIKey of 5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide?
The InChIKey is KLWMUQQJZIQBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-10-22-19(26)17-12-16(8-9-18(17)25(2)3)24-20(27)23-15-7-5-6-14(11-15)13-21/h5-9,11-12H,4,10H2,1-3H3,(H,22,26)(H2,23,24,27).
What are the key properties of 5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide?
5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide has a molecular weight of 365.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide is sourced from PubChem (CID 3950818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).