2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide

C19H29NO4 — CID 122136474

IUPAC2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide
SMILESCCN(CC(O)COc1ccc(CCOC)cc1)C(=O)CC1CC1
InChIInChI=1S/C19H29NO4/c1-3-20(19(22)12-16-4-5-16)13-17(21)14-24-18-8-6-15(7-9-18)10-11-23-2/h6-9,16-17,21H,3-5,10-14H2,1-2H3
InChIKeyKFBJVOISINLNGT-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.26
Rot. Bonds11

About 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide

2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide (PubChem CID 122136474) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide
PubChem CID122136474
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide
SMILESCCN(CC(O)COc1ccc(CCOC)cc1)C(=O)CC1CC1
InChIInChI=1S/C19H29NO4/c1-3-20(19(22)12-16-4-5-16)13-17(21)14-24-18-8-6-15(7-9-18)10-11-23-2/h6-9,16-17,21H,3-5,10-14H2,1-2H3
InChIKeyKFBJVOISINLNGT-UHFFFAOYSA-N
XLogP2.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
CID 43538057
methanol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175047598
3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea
CID 126452399
[(2S)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 24849134
[(2R)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 36688098
2,3-dihydroxybutanedioic acid;bis((2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol)
CID 90661400
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;propanoic acid
CID 170341089
(2S)-2-[[(2R)-2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]butan-1-ol
CID 25186198
1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 104751852
acetic acid;1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 170341079
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide (CID 122136474) is 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide is CCN(CC(O)COc1ccc(CCOC)cc1)C(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide?
The InChIKey is KFBJVOISINLNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-3-20(19(22)12-16-4-5-16)13-17(21)14-24-18-8-6-15(7-9-18)10-11-23-2/h6-9,16-17,21H,3-5,10-14H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide?
2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide has a molecular weight of 335.44 g/mol, XLogP of 2.26, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 122136474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).