2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide

C16H26N2O3 — CID 78960889

IUPAC2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(CCO)C(=O)CNC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-16(2,3)17-11-15(20)18(9-10-19)12-13-7-5-6-8-14(13)21-4/h5-8,17,19H,9-12H2,1-4H3
InChIKeyBHACCWQXYWFJJM-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.40
Rot. Bonds7

About 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 78960889) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID78960889
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(CCO)C(=O)CNC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-16(2,3)17-11-15(20)18(9-10-19)12-13-7-5-6-8-14(13)21-4/h5-8,17,19H,9-12H2,1-4H3
InChIKeyBHACCWQXYWFJJM-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950154
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79279066
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 60952866
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60952867
2-[2-[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569624
(2S)-2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 61162884
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 61067842

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 78960889) is 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CN(CCO)C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is BHACCWQXYWFJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)17-11-15(20)18(9-10-19)12-13-7-5-6-8-14(13)21-4/h5-8,17,19H,9-12H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 294.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 78960889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).