2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide

C14H29N3O3 — CID 79038170

IUPAC2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C14H29N3O3/c1-7-17(8-12(18)15-11(2)3)13(19)9-16(6)10-14(4,5)20/h11,20H,7-10H2,1-6H3,(H,15,18)
InChIKeyIWTNTGNBBSLLSL-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.06
Rot. Bonds8

About 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 79038170) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide
PubChem CID79038170
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C14H29N3O3/c1-7-17(8-12(18)15-11(2)3)13(19)9-16(6)10-14(4,5)20/h11,20H,7-10H2,1-6H3,(H,15,18)
InChIKeyIWTNTGNBBSLLSL-UHFFFAOYSA-N
XLogP0.06
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821282
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide
CID 60696906
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
4-tert-butyl-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51186193
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182
(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 93367275
2-(azetidin-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 64610759
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
N-[1-(4-ethylphenyl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336392

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide (CID 79038170) is 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CN(C)CC(C)(C)O.
What is the InChIKey of 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is IWTNTGNBBSLLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-7-17(8-12(18)15-11(2)3)13(19)9-16(6)10-14(4,5)20/h11,20H,7-10H2,1-6H3,(H,15,18).
What are the key properties of 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 287.40 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79038170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).