2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide

C18H28N4O2 — CID 119552532

IUPAC2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)N(C)C1CCNC1
InChIInChI=1S/C18H28N4O2/c1-13(2)16(17(23)22(3)15-9-10-19-12-15)21-18(24)20-11-14-7-5-4-6-8-14/h4-8,13,15-16,19H,9-12H2,1-3H3,(H2,20,21,24)
InChIKeyZSHNYXUARBDHSI-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.33
Rot. Bonds6

About 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide

2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide (PubChem CID 119552532) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide
PubChem CID119552532
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)N(C)C1CCNC1
InChIInChI=1S/C18H28N4O2/c1-13(2)16(17(23)22(3)15-9-10-19-12-15)21-18(24)20-11-14-7-5-4-6-8-14/h4-8,13,15-16,19H,9-12H2,1-3H3,(H2,20,21,24)
InChIKeyZSHNYXUARBDHSI-UHFFFAOYSA-N
XLogP1.33
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzylcarbamoylamino)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119549992
4-methoxy-N-[3-methyl-1-[methyl(pyrrolidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 119551898
N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide
CID 119550888
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393
2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide
CID 55639339
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002
methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate
CID 2002081
2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 86922360
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119552464

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide (CID 119552532) is 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide is CC(C)C(NC(=O)NCc1ccccc1)C(=O)N(C)C1CCNC1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide?
The InChIKey is ZSHNYXUARBDHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)16(17(23)22(3)15-9-10-19-12-15)21-18(24)20-11-14-7-5-4-6-8-14/h4-8,13,15-16,19H,9-12H2,1-3H3,(H2,20,21,24).
What are the key properties of 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide?
2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide has a molecular weight of 332.45 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119552532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).