N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide

C18H29NO4 — CID 69371336

IUPACN-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(CCO)CC(O)COCc1ccccc1
InChIInChI=1S/C18H29NO4/c1-18(2,3)11-17(22)19(9-10-20)12-16(21)14-23-13-15-7-5-4-6-8-15/h4-8,16,20-21H,9-14H2,1-3H3
InChIKeySSHZWWFHVVDIOM-UHFFFAOYSA-N
MW323.43 g/mol
LogP1.82
Rot. Bonds9

About N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide

N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide (PubChem CID 69371336) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide
PubChem CID69371336
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC NameN-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(CCO)CC(O)COCc1ccccc1
InChIInChI=1S/C18H29NO4/c1-18(2,3)11-17(22)19(9-10-20)12-16(21)14-23-13-15-7-5-4-6-8-15/h4-8,16,20-21H,9-14H2,1-3H3
InChIKeySSHZWWFHVVDIOM-UHFFFAOYSA-N
XLogP1.82
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-chloroethyl)-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]carbamate
CID 171477754
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
2-tert-butyl-4-hydroxy-5-phenylmethoxypentanoic acid
CID 83139665
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
CID 172760983
CID 172760983
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
2-phenylmethoxyethane-1,1-diol
CID 59866645
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
2-(aminomethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119749056
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate
CID 71433233
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide (CID 69371336) is N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N(CCO)CC(O)COCc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide?
The InChIKey is SSHZWWFHVVDIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-18(2,3)11-17(22)19(9-10-20)12-16(21)14-23-13-15-7-5-4-6-8-15/h4-8,16,20-21H,9-14H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide?
N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide has a molecular weight of 323.43 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 69371336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).