N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide

C23H30N4O2 — CID 143051805

IUPACN-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCN(CC(CN1CCCC1)c1ccccc1)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C23H30N4O2/c1-26(22(28)16-24-23(29)25-21-12-6-3-7-13-21)17-20(18-27-14-8-9-15-27)19-10-4-2-5-11-19/h2-7,10-13,20H,8-9,14-18H2,1H3,(H2,24,25,29)
InChIKeyZXBUGZAOPXNGST-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.15
Rot. Bonds8

About N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide

N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 143051805) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID143051805
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCN(CC(CN1CCCC1)c1ccccc1)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C23H30N4O2/c1-26(22(28)16-24-23(29)25-21-12-6-3-7-13-21)17-20(18-27-14-8-9-15-27)19-10-4-2-5-11-19/h2-7,10-13,20H,8-9,14-18H2,1H3,(H2,24,25,29)
InChIKeyZXBUGZAOPXNGST-UHFFFAOYSA-N
XLogP3.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate
CID 43409770
N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide
CID 42928470
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 43359989
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide
CID 87036337
ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline
CID 143051819
N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 167926693
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid
CID 22253496
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide (CID 143051805) is N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide is CN(CC(CN1CCCC1)c1ccccc1)C(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is ZXBUGZAOPXNGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-26(22(28)16-24-23(29)25-21-12-6-3-7-13-21)17-20(18-27-14-8-9-15-27)19-10-4-2-5-11-19/h2-7,10-13,20H,8-9,14-18H2,1H3,(H2,24,25,29).
What are the key properties of N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide?
N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(phenylcarbamoylamino)-N-(2-phenyl-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 143051805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).