3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride

C16H25ClN4O2 — CID 119451808

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC1CCNC1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-20(12-13-5-3-2-4-6-13)16(22)18-10-8-15(21)19-14-7-9-17-11-14;/h2-6,14,17H,7-12H2,1H3,(H,18,22)(H,19,21);1H
InChIKeyUYNDZNJIKPEFHX-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.12
Rot. Bonds6

About 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119451808) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119451808
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC1CCNC1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-20(12-13-5-3-2-4-6-13)16(22)18-10-8-15(21)19-14-7-9-17-11-14;/h2-6,14,17H,7-12H2,1H3,(H,18,22)(H,19,21);1H
InChIKeyUYNDZNJIKPEFHX-UHFFFAOYSA-N
XLogP1.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581428
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442803
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide
CID 166222378
3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446987
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
CID 119561837
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 119615189
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]-N-cyclohexylpropanamide;hydroiodide
CID 110951957
3-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119411270
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119451808) is 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride is CN(Cc1ccccc1)C(=O)NCCC(=O)NC1CCNC1.Cl.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is UYNDZNJIKPEFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-20(12-13-5-3-2-4-6-13)16(22)18-10-8-15(21)19-14-7-9-17-11-14;/h2-6,14,17H,7-12H2,1H3,(H,18,22)(H,19,21);1H.
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119451808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).