2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide

C23H30N4O2 — CID 87036337

IUPAC2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide
SMILESCC(CNC(=O)NC(C(=O)Nc1ccccc1)c1ccccc1)CN1CCCC1
InChIInChI=1S/C23H30N4O2/c1-18(17-27-14-8-9-15-27)16-24-23(29)26-21(19-10-4-2-5-11-19)22(28)25-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3,(H,25,28)(H2,24,26,29)
InChIKeyMPBBABYFLRSWCP-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.40
Rot. Bonds8

About 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide

2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide (PubChem CID 87036337) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide
PubChem CID87036337
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide
SMILESCC(CNC(=O)NC(C(=O)Nc1ccccc1)c1ccccc1)CN1CCCC1
InChIInChI=1S/C23H30N4O2/c1-18(17-27-14-8-9-15-27)16-24-23(29)26-21(19-10-4-2-5-11-19)22(28)25-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3,(H,25,28)(H2,24,26,29)
InChIKeyMPBBABYFLRSWCP-UHFFFAOYSA-N
XLogP3.40
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 60532999
3-methoxy-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 81081570
(2S)-2-(2-methylbutylcarbamoylamino)-2-phenylacetic acid
CID 104899033
2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 112845969
N'-(4-methylphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)oxamide
CID 60530240
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
1-[3-(benzenesulfonyl)propyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)urea
CID 86851357
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55911896
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)urea
CID 111110756
2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide
CID 86900818
2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55911766

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide (CID 87036337) is 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide is CC(CNC(=O)NC(C(=O)Nc1ccccc1)c1ccccc1)CN1CCCC1.
What is the InChIKey of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide?
The InChIKey is MPBBABYFLRSWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18(17-27-14-8-9-15-27)16-24-23(29)26-21(19-10-4-2-5-11-19)22(28)25-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3,(H,25,28)(H2,24,26,29).
What are the key properties of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide?
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide has a molecular weight of 394.52 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 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 87036337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).