N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide

C12H26N2O2 — CID 106357033

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide
SMILESCOCCCC(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)10(7-8-13)14-11(15)6-5-9-16-4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyUNNPPSQPLSYUSU-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds7

About N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide

N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide (PubChem CID 106357033) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide
PubChem CID106357033
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide
SMILESCOCCCC(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)10(7-8-13)14-11(15)6-5-9-16-4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyUNNPPSQPLSYUSU-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide
CID 106357251
tert-butyl (2R)-2-(4-methoxybutanoylamino)propanoate
CID 81003909
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
2-(7-aminoheptanoylamino)-4-methoxybutanoic acid
CID 62478125
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695
6-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4,4-dimethylhexanamide
CID 106350089
7-amino-N-(1-methoxypropan-2-yl)heptanamide
CID 24700699
N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide
CID 164831434
tert-butyl (2S)-6-amino-2-(4-aminobutanoylamino)hexanoate
CID 164575019
4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
CID 82722451
N-(1-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189
3-(4-methoxybutanoylamino)-5,5-dimethylhexanoic acid
CID 113496760

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide (CID 106357033) is N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide is COCCCC(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide?
The InChIKey is UNNPPSQPLSYUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2,3)10(7-8-13)14-11(15)6-5-9-16-4/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide is sourced from PubChem (CID 106357033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).