4-[(3-methoxy-2-methylpropyl)amino]butanamide

C9H20N2O2 — CID 116501150

IUPAC4-[(3-methoxy-2-methylpropyl)amino]butanamide
SMILESCOCC(C)CNCCCC(N)=O
InChIInChI=1S/C9H20N2O2/c1-8(7-13-2)6-11-5-3-4-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyCIQZVNVMVMRSJA-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds8

About 4-[(3-methoxy-2-methylpropyl)amino]butanamide

4-[(3-methoxy-2-methylpropyl)amino]butanamide (PubChem CID 116501150) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[(3-methoxy-2-methylpropyl)amino]butanamide.

Molecular Properties

Compound Name4-[(3-methoxy-2-methylpropyl)amino]butanamide
PubChem CID116501150
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-[(3-methoxy-2-methylpropyl)amino]butanamide
SMILESCOCC(C)CNCCCC(N)=O
InChIInChI=1S/C9H20N2O2/c1-8(7-13-2)6-11-5-3-4-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyCIQZVNVMVMRSJA-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(5-amino-5-oxopentyl)amino]-2-methylpropanoate
CID 106237219
tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
CID 102672051
4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid
CID 63930297
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
methyl 3-[(5-hydroxy-4-methylpentyl)amino]-2-methylpropanoate
CID 106160216
3-(3-propan-2-yloxypropylamino)propanamide
CID 2502548
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 116500788
4-methoxybutanamide
CID 22414177
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
2-[[(3-methoxy-2-methylpropyl)amino]methyl]prop-2-enoic acid
CID 103245619
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-2-methylpropyl)amino]butanamide?
The IUPAC name of 4-[(3-methoxy-2-methylpropyl)amino]butanamide (CID 116501150) is 4-[(3-methoxy-2-methylpropyl)amino]butanamide.
What is the SMILES notation for 4-[(3-methoxy-2-methylpropyl)amino]butanamide?
The canonical SMILES for 4-[(3-methoxy-2-methylpropyl)amino]butanamide is COCC(C)CNCCCC(N)=O.
What is the InChIKey of 4-[(3-methoxy-2-methylpropyl)amino]butanamide?
The InChIKey is CIQZVNVMVMRSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(7-13-2)6-11-5-3-4-9(10)12/h8,11H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of 4-[(3-methoxy-2-methylpropyl)amino]butanamide?
4-[(3-methoxy-2-methylpropyl)amino]butanamide has a molecular weight of 188.27 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-2-methylpropyl)amino]butanamide is sourced from PubChem (CID 116501150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).