(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide

C20H30N4O3 — CID 52511671

IUPAC(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)NCc1ccc(NC(=O)NC(C)C)cc1)C1CCCC1
InChIInChI=1S/C20H30N4O3/c1-13(2)22-20(27)24-17-10-8-15(9-11-17)12-21-19(26)18(23-14(3)25)16-6-4-5-7-16/h8-11,13,16,18H,4-7,12H2,1-3H3,(H,21,26)(H,23,25)(H2,22,24,27)/t18-/m1/s1
InChIKeyYOWVTBVQMVPWHV-GOSISDBHSA-N
MW374.49 g/mol
LogP2.53
Rot. Bonds7

About (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide

(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide (PubChem CID 52511671) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
PubChem CID52511671
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)NCc1ccc(NC(=O)NC(C)C)cc1)C1CCCC1
InChIInChI=1S/C20H30N4O3/c1-13(2)22-20(27)24-17-10-8-15(9-11-17)12-21-19(26)18(23-14(3)25)16-6-4-5-7-16/h8-11,13,16,18H,4-7,12H2,1-3H3,(H,21,26)(H,23,25)(H2,22,24,27)/t18-/m1/s1
InChIKeyYOWVTBVQMVPWHV-GOSISDBHSA-N
XLogP2.53
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 119730362
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide
CID 51271886
2-acetamido-2-cyclopentyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 134026215
2-(cyclopropylmethylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 119730358
2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972376
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 46456841
2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide
CID 119547727
(2S)-2-acetamido-2-cyclopentyl-N-[(2-fluorophenyl)methyl]acetamide
CID 27147840
2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide
CID 51272392
2-acetamido-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 51271986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The IUPAC name of (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide (CID 52511671) is (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide.
What is the SMILES notation for (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The canonical SMILES for (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide is CC(=O)N[C@@H](C(=O)NCc1ccc(NC(=O)NC(C)C)cc1)C1CCCC1.
What is the InChIKey of (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The InChIKey is YOWVTBVQMVPWHV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)22-20(27)24-17-10-8-15(9-11-17)12-21-19(26)18(23-14(3)25)16-6-4-5-7-16/h8-11,13,16,18H,4-7,12H2,1-3H3,(H,21,26)(H,23,25)(H2,22,24,27)/t18-/m1/s1.
What are the key properties of (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 52511671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).