3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide

C12H26N2O2 — CID 106112569

IUPAC3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide
SMILESCOC(CN)C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-5-7-10(3)14-12(15)11(8-13)16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyVHBPQNYPFHYPJO-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds8

About 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide

3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide (PubChem CID 106112569) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide
PubChem CID106112569
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide
SMILESCOC(CN)C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-5-7-10(3)14-12(15)11(8-13)16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyVHBPQNYPFHYPJO-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide
CID 106113185
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
CID 106112659
1-methoxy-3-[(2S)-6-methylheptan-2-yl]urea
CID 97014465
3-amino-N-(3-ethylpentan-2-yl)-2-methoxypropanamide
CID 106112904
(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
CID 92660565
N-(6-methylheptan-2-yl)-2-sulfanylpropanamide
CID 107025134
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106114110
4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 81087048
2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 114145147
N-[(2R)-1-aminopropan-2-yl]-2-methoxypropanamide
CID 104873046

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide (CID 106112569) is 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide is COC(CN)C(=O)NC(C)CCCC(C)C.
What is the InChIKey of 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide?
The InChIKey is VHBPQNYPFHYPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)6-5-7-10(3)14-12(15)11(8-13)16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide?
3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide is sourced from PubChem (CID 106112569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).