N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide

C22H28N4O2 — CID 86988079

IUPACN-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C22H28N4O2/c1-26(2)20-12-8-16(9-13-20)5-4-14-23-22(28)25-19-7-3-6-17(15-19)21(27)24-18-10-11-18/h3,6-9,12-13,15,18H,4-5,10-11,14H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyDPPPRFJMSSHKPR-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.40
Rot. Bonds8

About N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide

N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide (PubChem CID 86988079) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide
PubChem CID86988079
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C22H28N4O2/c1-26(2)20-12-8-16(9-13-20)5-4-14-23-22(28)25-19-7-3-6-17(15-19)21(27)24-18-10-11-18/h3,6-9,12-13,15,18H,4-5,10-11,14H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyDPPPRFJMSSHKPR-UHFFFAOYSA-N
XLogP3.40
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
CID 91644552
N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119549671
N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
CID 86994929
N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
CID 47033148
3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109050711
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988223
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(4-methylsulfonylphenyl)urea
CID 86987517

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide (CID 86988079) is N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide is CN(C)c1ccc(CCCNC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide?
The InChIKey is DPPPRFJMSSHKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-26(2)20-12-8-16(9-13-20)5-4-14-23-22(28)25-19-7-3-6-17(15-19)21(27)24-18-10-11-18/h3,6-9,12-13,15,18H,4-5,10-11,14H2,1-2H3,(H,24,27)(H2,23,25,28).
What are the key properties of N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide?
N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide is sourced from PubChem (CID 86988079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).