N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide

C18H26N4O3 — CID 100636715

IUPACN-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NC(C)(C)C(=O)N2CCCC2)c1
InChIInChI=1S/C18H26N4O3/c1-13-7-6-8-14(11-13)20-17(25)19-12-15(23)21-18(2,3)16(24)22-9-4-5-10-22/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,21,23)(H2,19,20,25)
InChIKeyKFEZAHZGEIECAY-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.63
Rot. Bonds5

About N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide

N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide (PubChem CID 100636715) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
PubChem CID100636715
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NC(C)(C)C(=O)N2CCCC2)c1
InChIInChI=1S/C18H26N4O3/c1-13-7-6-8-14(11-13)20-17(25)19-12-15(23)21-18(2,3)16(24)22-9-4-5-10-22/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,21,23)(H2,19,20,25)
InChIKeyKFEZAHZGEIECAY-UHFFFAOYSA-N
XLogP1.63
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanoic acid
CID 119357214
1-(3-methylphenyl)-3-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]urea
CID 55678721
2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743284
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119353854
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55963988
tert-butyl N-methyl-N-[[1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidin-3-yl]methyl]carbamate
CID 47796203
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The IUPAC name of N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide (CID 100636715) is N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide is Cc1cccc(NC(=O)NCC(=O)NC(C)(C)C(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The InChIKey is KFEZAHZGEIECAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-7-6-8-14(11-13)20-17(25)19-12-15(23)21-18(2,3)16(24)22-9-4-5-10-22/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,21,23)(H2,19,20,25).
What are the key properties of N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide has a molecular weight of 346.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 100636715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).