4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide

C10H22N2O2 — CID 81087723

IUPAC4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide
SMILESCCOCC(C)NC(=O)CC(C)CN
InChIInChI=1S/C10H22N2O2/c1-4-14-7-9(3)12-10(13)5-8(2)6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyUBDPZYFFTUZUBE-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.51
Rot. Bonds7

About 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide

4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide (PubChem CID 81087723) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide
PubChem CID81087723
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide
SMILESCCOCC(C)NC(=O)CC(C)CN
InChIInChI=1S/C10H22N2O2/c1-4-14-7-9(3)12-10(13)5-8(2)6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyUBDPZYFFTUZUBE-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid
CID 62964497
4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 81087048
(2R)-2-amino-N-(1-ethoxypropan-2-yl)propanamide
CID 78977149
N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
CID 104872961
ethane;N-(1-ethoxypropan-2-yl)acetamide;methanol
CID 156707108
6-[(4-amino-3-methylbutanoyl)amino]-2-methylheptanoic acid
CID 81080313
3-ethoxy-2-methylpropan-1-amine
CID 43175050
2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate
CID 79348986
2-N-(1-ethoxypropan-2-yl)propane-1,2-diamine
CID 103389655
methyl 2-[(4-amino-3-methylbutanoyl)amino]-4-methylpentanoate
CID 81076154
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
(3S)-4-ethoxy-3-methylbutanoic acid
CID 59960254

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide (CID 81087723) is 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide is CCOCC(C)NC(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide?
The InChIKey is UBDPZYFFTUZUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-14-7-9(3)12-10(13)5-8(2)6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide?
4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 81087723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).