N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide

C16H26N2O3 — CID 151658412

IUPACN-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide
SMILESCOc1c(N)cc(C(C)(C)C)cc1CN(C(C)=O)C(C)O
InChIInChI=1S/C16H26N2O3/c1-10(19)18(11(2)20)9-12-7-13(16(3,4)5)8-14(17)15(12)21-6/h7-8,10,19H,9,17H2,1-6H3
InChIKeyQVZVJCGMGYTMMV-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.26
Rot. Bonds4

About N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide

N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide (PubChem CID 151658412) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide
PubChem CID151658412
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide
SMILESCOc1c(N)cc(C(C)(C)C)cc1CN(C(C)=O)C(C)O
InChIInChI=1S/C16H26N2O3/c1-10(19)18(11(2)20)9-12-7-13(16(3,4)5)8-14(17)15(12)21-6/h7-8,10,19H,9,17H2,1-6H3
InChIKeyQVZVJCGMGYTMMV-UHFFFAOYSA-N
XLogP2.26
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-amino-5-tert-butyl-2-methoxyphenyl)methanesulfonic acid
CID 150737660
5-tert-butyl-2-methoxy-3-(methylsulfinylmethyl)aniline
CID 58493967
5-tert-butyl-2-methoxybenzene-1,3-diamine;ethane;methanethiol
CID 145338891
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 59495624
3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide
CID 23505820
1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 66769299
tert-butyl N-[(3-amino-2-methoxy-5-prop-1-en-2-ylphenyl)methyl]-N-cyclopropylcarbamate
CID 68960838
tert-butyl N-[(3-amino-2-methoxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22981263
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
N-[5-tert-butyl-3-(diacetylamino)-2-methoxyphenyl]acetamide
CID 139069384
ethyl 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-hydroxyacetate
CID 117484496

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide?
The IUPAC name of N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide (CID 151658412) is N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide.
What is the SMILES notation for N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide?
The canonical SMILES for N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide is COc1c(N)cc(C(C)(C)C)cc1CN(C(C)=O)C(C)O.
What is the InChIKey of N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide?
The InChIKey is QVZVJCGMGYTMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(19)18(11(2)20)9-12-7-13(16(3,4)5)8-14(17)15(12)21-6/h7-8,10,19H,9,17H2,1-6H3.
What are the key properties of N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide?
N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N-(1-hydroxyethyl)acetamide is sourced from PubChem (CID 151658412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).