2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide

C19H29ClN4O3 — CID 9039378

IUPAC2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1cccc(Cl)c1C)CC(=O)NC(C)(C)C
InChIInChI=1S/C19H29ClN4O3/c1-6-24(12-18(27)23-19(3,4)5)11-17(26)21-10-16(25)22-15-9-7-8-14(20)13(15)2/h7-9H,6,10-12H2,1-5H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyPWFWIQISZNQWBD-UHFFFAOYSA-N
MW396.92 g/mol
LogP1.94
Rot. Bonds8

About 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide

2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 9039378) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID9039378
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC Name2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1cccc(Cl)c1C)CC(=O)NC(C)(C)C
InChIInChI=1S/C19H29ClN4O3/c1-6-24(12-18(27)23-19(3,4)5)11-17(26)21-10-16(25)22-15-9-7-8-14(20)13(15)2/h7-9H,6,10-12H2,1-5H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyPWFWIQISZNQWBD-UHFFFAOYSA-N
XLogP1.94
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
CID 108951471
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
CID 2450964
N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide
CID 9044326
N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
CID 108951094
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717964
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 30962932
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide (CID 9039378) is 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide is CCN(CC(=O)NCC(=O)Nc1cccc(Cl)c1C)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is PWFWIQISZNQWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O3/c1-6-24(12-18(27)23-19(3,4)5)11-17(26)21-10-16(25)22-15-9-7-8-14(20)13(15)2/h7-9H,6,10-12H2,1-5H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 396.92 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 9039378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).