N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide

C20H26N4O2 — CID 35603930

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-23(2)18-11-9-16(10-12-18)15-24(3)19(25)13-14-21-20(26)22-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H2,21,22,26)
InChIKeyNQIHEAFIGYQAPD-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.92
Rot. Bonds7

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

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide (PubChem CID 35603930) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
PubChem CID35603930
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-23(2)18-11-9-16(10-12-18)15-24(3)19(25)13-14-21-20(26)22-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H2,21,22,26)
InChIKeyNQIHEAFIGYQAPD-UHFFFAOYSA-N
XLogP2.92
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
5-[[4-(dimethylamino)phenyl]methyl-methylamino]-5-oxopentanoic acid
CID 60953988
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
methyl 2-[(4-chlorophenyl)methyl-[3-(phenylcarbamoylamino)propanoyl]amino]acetate
CID 55803002
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020497
1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea
CID 11674321
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903
N-methyl-3-(phenylcarbamoylamino)-N-(4-phenylcyclohexyl)propanamide
CID 55588872

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide (CID 35603930) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide is CN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)Nc1ccccc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide?
The InChIKey is NQIHEAFIGYQAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23(2)18-11-9-16(10-12-18)15-24(3)19(25)13-14-21-20(26)22-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H2,21,22,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 35603930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).