2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide

C19H28N4O2 — CID 86791128

IUPAC2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C(C2CC2)N2CCCC2)cc1
InChIInChI=1S/C19H28N4O2/c1-13(2)20-19(25)22-16-9-7-15(8-10-16)21-18(24)17(14-5-6-14)23-11-3-4-12-23/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,21,24)(H2,20,22,25)
InChIKeyDESRGSWZAVBVEZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.03
Rot. Bonds6

About 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide

2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 86791128) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID86791128
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C(C2CC2)N2CCCC2)cc1
InChIInChI=1S/C19H28N4O2/c1-13(2)20-19(25)22-16-9-7-15(8-10-16)21-18(24)17(14-5-6-14)23-11-3-4-12-23/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,21,24)(H2,20,22,25)
InChIKeyDESRGSWZAVBVEZ-UHFFFAOYSA-N
XLogP3.03
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
CID 86791140
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
4-[(1S)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221214
1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776
(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221645
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221209
1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 46027642

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide (CID 86791128) is 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide is CC(C)NC(=O)Nc1ccc(NC(=O)C(C2CC2)N2CCCC2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is DESRGSWZAVBVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)20-19(25)22-16-9-7-15(8-10-16)21-18(24)17(14-5-6-14)23-11-3-4-12-23/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,21,24)(H2,20,22,25).
What are the key properties of 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide?
2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 344.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86791128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).