(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide

C16H21NO3 — CID 94814042

IUPAC(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
SMILESC#CCOc1ccc(CCNC(=O)[C@@H](C)OCC)cc1
InChIInChI=1S/C16H21NO3/c1-4-12-20-15-8-6-14(7-9-15)10-11-17-16(18)13(3)19-5-2/h1,6-9,13H,5,10-12H2,2-3H3,(H,17,18)/t13-/m1/s1
InChIKeyNNVWPQIHAUSMPO-CYBMUJFWSA-N
MW275.35 g/mol
LogP1.78
Rot. Bonds8

About (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide

(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide (PubChem CID 94814042) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
PubChem CID94814042
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
SMILESC#CCOc1ccc(CCNC(=O)[C@@H](C)OCC)cc1
InChIInChI=1S/C16H21NO3/c1-4-12-20-15-8-6-14(7-9-15)10-11-17-16(18)13(3)19-5-2/h1,6-9,13H,5,10-12H2,2-3H3,(H,17,18)/t13-/m1/s1
InChIKeyNNVWPQIHAUSMPO-CYBMUJFWSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-prop-2-ynoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51101426
3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 86950147
2-methyl-1-propyl-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine
CID 111228051
(2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258614
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
2-methyl-1-(2-phenylethyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine
CID 111134841
1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875310
1-(2-chloro-4-methoxyphenyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86876809
1-(2-methoxy-4-methylphenyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875415
4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 86874580
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
2-(3,4-difluorophenyl)-N-[2-[4-(3-methoxyprop-2-ynoxy)phenyl]ethyl]-2-prop-2-ynoxyacetamide
CID 87978104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide (CID 94814042) is (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide is C#CCOc1ccc(CCNC(=O)[C@@H](C)OCC)cc1.
What is the InChIKey of (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide?
The InChIKey is NNVWPQIHAUSMPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-12-20-15-8-6-14(7-9-15)10-11-17-16(18)13(3)19-5-2/h1,6-9,13H,5,10-12H2,2-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide?
(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 94814042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).