2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide

C16H24N4O2 — CID 119514832

IUPAC2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCC(C)(NC(=O)Nc1ccccc1)C(=O)NCC1CCCN1
InChIInChI=1S/C16H24N4O2/c1-16(2,14(21)18-11-13-9-6-10-17-13)20-15(22)19-12-7-4-3-5-8-12/h3-5,7-8,13,17H,6,9-11H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyAUVALVTXJSSLSC-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.45
Rot. Bonds5

About 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide

2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119514832) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119514832
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCC(C)(NC(=O)Nc1ccccc1)C(=O)NCC1CCCN1
InChIInChI=1S/C16H24N4O2/c1-16(2,14(21)18-11-13-9-6-10-17-13)20-15(22)19-12-7-4-3-5-8-12/h3-5,7-8,13,17H,6,9-11H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyAUVALVTXJSSLSC-UHFFFAOYSA-N
XLogP1.45
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511132
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
1-(4-hydroxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235796
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119512158
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
N-[2-(ethylamino)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119509598
1-phenyl-3-[3-[[(2S)-pyrrolidin-2-yl]methylamino]propyl]thiourea
CID 101480128
methyl 3-[[(2S)-pyrrolidin-2-yl]methylcarbamoylamino]benzoate;hydrochloride
CID 154900818
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride
CID 119728830
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119514832) is 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide is CC(C)(NC(=O)Nc1ccccc1)C(=O)NCC1CCCN1.
What is the InChIKey of 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is AUVALVTXJSSLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-16(2,14(21)18-11-13-9-6-10-17-13)20-15(22)19-12-7-4-3-5-8-12/h3-5,7-8,13,17H,6,9-11H2,1-2H3,(H,18,21)(H2,19,20,22).
What are the key properties of 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide?
2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119514832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).