(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C19H28N2O2 — CID 42210577

IUPAC(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(CCN2C[C@@H](NC3CCCCC3)CC2=O)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-9-7-15(8-10-18)11-12-21-14-17(13-19(21)22)20-16-5-3-2-4-6-16/h7-10,16-17,20H,2-6,11-14H2,1H3/t17-/m0/s1
InChIKeyQZSWHJMGFVQZGR-KRWDZBQOSA-N
MW316.44 g/mol
LogP2.76
Rot. Bonds6

About (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 42210577) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID42210577
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(CCN2C[C@@H](NC3CCCCC3)CC2=O)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-9-7-15(8-10-18)11-12-21-14-17(13-19(21)22)20-16-5-3-2-4-6-16/h7-10,16-17,20H,2-6,11-14H2,1H3/t17-/m0/s1
InChIKeyQZSWHJMGFVQZGR-KRWDZBQOSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45235933
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
(4R)-4-(dimethylsulfamoylamino)-1-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine
CID 42362146
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 26335253
1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one
CID 56715047
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 25282898
1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 45229589
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-propan-2-ylsulfanylacetamide
CID 95730256
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
1-[2-(4-methoxyphenyl)ethyl]-4-[(5-methyl-1H-imidazol-4-yl)methylamino]pyrrolidin-2-one
CID 45250844
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42287956

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 42210577) is (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(CCN2C[C@@H](NC3CCCCC3)CC2=O)cc1.
What is the InChIKey of (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is QZSWHJMGFVQZGR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-18-9-7-15(8-10-18)11-12-21-14-17(13-19(21)22)20-16-5-3-2-4-6-16/h7-10,16-17,20H,2-6,11-14H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 316.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 42210577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).