(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide

C12H26N2O2 — CID 61162971

IUPAC(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCOCCN(CC(C)C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)8-14(6-7-16-5)12(15)11(13)10(3)4/h9-11H,6-8,13H2,1-5H3/t11-/m0/s1
InChIKeyCZZRWSNVXDPSTB-NSHDSACASA-N
MW230.35 g/mol
LogP1.10
Rot. Bonds7

About (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide

(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide (PubChem CID 61162971) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
PubChem CID61162971
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCOCCN(CC(C)C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)8-14(6-7-16-5)12(15)11(13)10(3)4/h9-11H,6-8,13H2,1-5H3/t11-/m0/s1
InChIKeyCZZRWSNVXDPSTB-NSHDSACASA-N
XLogP1.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 62473959
methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
CID 79012450
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
CID 119314780
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide (CID 61162971) is (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide is COCCN(CC(C)C)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is CZZRWSNVXDPSTB-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)8-14(6-7-16-5)12(15)11(13)10(3)4/h9-11H,6-8,13H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide?
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 230.35 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 61162971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).