(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide

C16H22N2O4 — CID 100735000

IUPAC(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
SMILESCCO[C@](C)(C(=O)Nc1ccc(OCC(N)=O)cc1)C1CC1
InChIInChI=1S/C16H22N2O4/c1-3-22-16(2,11-4-5-11)15(20)18-12-6-8-13(9-7-12)21-10-14(17)19/h6-9,11H,3-5,10H2,1-2H3,(H2,17,19)(H,18,20)/t16-/m0/s1
InChIKeyMCPRFYYEUXWEKL-INIZCTEOSA-N
MW306.36 g/mol
LogP1.69
Rot. Bonds8

About (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide

(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide (PubChem CID 100735000) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
PubChem CID100735000
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
SMILESCCO[C@](C)(C(=O)Nc1ccc(OCC(N)=O)cc1)C1CC1
InChIInChI=1S/C16H22N2O4/c1-3-22-16(2,11-4-5-11)15(20)18-12-6-8-13(9-7-12)21-10-14(17)19/h6-9,11H,3-5,10H2,1-2H3,(H2,17,19)(H,18,20)/t16-/m0/s1
InChIKeyMCPRFYYEUXWEKL-INIZCTEOSA-N
XLogP1.69
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854
2-cyclopropyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-ethoxypropanamide
CID 133246885
(2R)-N-(4-cyclopentyloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734929
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361
(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
CID 100718062
2-cyclopropyl-2-ethoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]propanamide
CID 133246889
(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide
CID 125061179
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245864
2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide
CID 133246464
(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 100708900
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide?
The IUPAC name of (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide (CID 100735000) is (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide is CCO[C@](C)(C(=O)Nc1ccc(OCC(N)=O)cc1)C1CC1.
What is the InChIKey of (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide?
The InChIKey is MCPRFYYEUXWEKL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-22-16(2,11-4-5-11)15(20)18-12-6-8-13(9-7-12)21-10-14(17)19/h6-9,11H,3-5,10H2,1-2H3,(H2,17,19)(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide?
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide has a molecular weight of 306.36 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide is sourced from PubChem (CID 100735000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).