N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide

C21H28N4O2 — CID 86994929

IUPACN-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)NCCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H28N4O2/c1-4-20(26)23-17-9-11-18(12-10-17)24-21(27)22-15-5-6-16-7-13-19(14-8-16)25(2)3/h7-14H,4-6,15H2,1-3H3,(H,23,26)(H2,22,24,27)
InChIKeyYXXWIJZDKGXDAV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.86
Rot. Bonds8

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

N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide (PubChem CID 86994929) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
PubChem CID86994929
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)NCCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H28N4O2/c1-4-20(26)23-17-9-11-18(12-10-17)24-21(27)22-15-5-6-16-7-13-19(14-8-16)25(2)3/h7-14H,4-6,15H2,1-3H3,(H,23,26)(H2,22,24,27)
InChIKeyYXXWIJZDKGXDAV-UHFFFAOYSA-N
XLogP3.86
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.86
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

1-[3-[4-(dimethylamino)phenyl]propyl]-3-(4-methylsulfonylphenyl)urea
CID 86987517
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988223
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea
CID 86989236
1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972144
1-(4-heptylphenyl)-3-propylurea
CID 142021842
N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide
CID 86988079
4-[4-(butylcarbamoylamino)phenyl]butanoic acid
CID 68943734
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
CID 108949854
1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
CID 91644552

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide?
The IUPAC name of N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide (CID 86994929) is N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)NCCCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide?
The InChIKey is YXXWIJZDKGXDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-20(26)23-17-9-11-18(12-10-17)24-21(27)22-15-5-6-16-7-13-19(14-8-16)25(2)3/h7-14H,4-6,15H2,1-3H3,(H,23,26)(H2,22,24,27).
What are the key properties of N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide?
N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide is sourced from PubChem (CID 86994929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).