(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide

C18H27N3O2 — CID 97099193

IUPAC(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide
SMILESCCN(C)c1cccc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-4-21(3)16-11-7-10-15(12-16)20-18(23)17(19-13(2)22)14-8-5-6-9-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3,(H,19,22)(H,20,23)/t17-/m0/s1
InChIKeyUYYHHXWXSFVNRT-KRWDZBQOSA-N
MW317.43 g/mol
LogP2.78
Rot. Bonds6

About (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide

(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide (PubChem CID 97099193) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide
PubChem CID97099193
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide
SMILESCCN(C)c1cccc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-4-21(3)16-11-7-10-15(12-16)20-18(23)17(19-13(2)22)14-8-5-6-9-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3,(H,19,22)(H,20,23)/t17-/m0/s1
InChIKeyUYYHHXWXSFVNRT-KRWDZBQOSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
N-[3-[ethyl(methyl)amino]phenyl]-2-(3-methylcyclohexyl)oxypropanamide
CID 86960782
methyl 2-[[3-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate
CID 55962022
2-acetamido-2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 17448058
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 47089076
1-[3-[ethyl(methyl)amino]phenyl]-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 129378352
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
(2R)-2-acetamido-2-cyclopentyl-N-(2-ethoxyphenyl)acetamide
CID 40938974
2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide
CID 51272392
2-acetamido-2-cyclopentyl-N-(2,3-dichlorophenyl)acetamide
CID 51272483
(2R)-2-acetamido-N-(4-cyanophenyl)-2-cyclopentylacetamide
CID 25469679

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide?
The IUPAC name of (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide (CID 97099193) is (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide.
What is the SMILES notation for (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide?
The canonical SMILES for (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide is CCN(C)c1cccc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)c1.
What is the InChIKey of (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide?
The InChIKey is UYYHHXWXSFVNRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-21(3)16-11-7-10-15(12-16)20-18(23)17(19-13(2)22)14-8-5-6-9-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3,(H,19,22)(H,20,23)/t17-/m0/s1.
What are the key properties of (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide?
(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide is sourced from PubChem (CID 97099193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).