2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide

C15H21NO4 — CID 126804916

IUPAC2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide
SMILESCC(O)(C(=O)NCc1ccc(OCCO)cc1)C1CC1
InChIInChI=1S/C15H21NO4/c1-15(19,12-4-5-12)14(18)16-10-11-2-6-13(7-3-11)20-9-8-17/h2-3,6-7,12,17,19H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyDGWWTQXGJKXYTA-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.83
Rot. Bonds7

About 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide

2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide (PubChem CID 126804916) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide
PubChem CID126804916
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide
SMILESCC(O)(C(=O)NCc1ccc(OCCO)cc1)C1CC1
InChIInChI=1S/C15H21NO4/c1-15(19,12-4-5-12)14(18)16-10-11-2-6-13(7-3-11)20-9-8-17/h2-3,6-7,12,17,19H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyDGWWTQXGJKXYTA-UHFFFAOYSA-N
XLogP0.83
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide
CID 126797423
3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
CID 119758174
2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride
CID 119317662
2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 61250290
N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
CID 73253877
N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 90499449
1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 110774966
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
1,7-dihydroxy-3,5-bis[[4-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylheptan-4-one
CID 121317732
4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide (CID 126804916) is 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide is CC(O)(C(=O)NCc1ccc(OCCO)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide?
The InChIKey is DGWWTQXGJKXYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(19,12-4-5-12)14(18)16-10-11-2-6-13(7-3-11)20-9-8-17/h2-3,6-7,12,17,19H,4-5,8-10H2,1H3,(H,16,18).
What are the key properties of 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide?
2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 126804916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).