N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide

C16H26N2O3 — CID 61172776

IUPACN-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
SMILESCOc1ccc(C(C)NCC(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-11(17-10-15(19)18-16(2,3)4)12-7-8-13(20-5)14(9-12)21-6/h7-9,11,17H,10H2,1-6H3,(H,18,19)
InChIKeyQMISSSFODBUQLV-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.27
Rot. Bonds6

About N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide

N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide (PubChem CID 61172776) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
PubChem CID61172776
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
SMILESCOc1ccc(C(C)NCC(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-11(17-10-15(19)18-16(2,3)4)12-7-8-13(20-5)14(9-12)21-6/h7-9,11,17H,10H2,1-6H3,(H,18,19)
InChIKeyQMISSSFODBUQLV-UHFFFAOYSA-N
XLogP2.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-(3,4-dimethoxyphenyl)ethylamino]-2,2-dimethylpropanoate
CID 79621340
2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
CID 20994903
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 62331698
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
CID 103529821
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 66179353
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119720016

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide (CID 61172776) is N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide is COc1ccc(C(C)NCC(=O)NC(C)(C)C)cc1OC.
What is the InChIKey of N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide?
The InChIKey is QMISSSFODBUQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(17-10-15(19)18-16(2,3)4)12-7-8-13(20-5)14(9-12)21-6/h7-9,11,17H,10H2,1-6H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide?
N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 61172776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).