N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide

C12H26N2O3 — CID 106246633

IUPACN-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
SMILESCCCCNC(=O)C(C)NCCC(O)COC
InChIInChI=1S/C12H26N2O3/c1-4-5-7-14-12(16)10(2)13-8-6-11(15)9-17-3/h10-11,13,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyWQGLFQCVFPWCRR-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.28
Rot. Bonds10

About N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide

N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide (PubChem CID 106246633) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
PubChem CID106246633
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
SMILESCCCCNC(=O)C(C)NCCC(O)COC
InChIInChI=1S/C12H26N2O3/c1-4-5-7-14-12(16)10(2)13-8-6-11(15)9-17-3/h10-11,13,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyWQGLFQCVFPWCRR-UHFFFAOYSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide
CID 114163574
N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 114163587
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
1-methoxy-4-(pentan-2-ylamino)butan-2-ol
CID 115897158
N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide
CID 103877484
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
CID 103951121
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
N-butyl-2-(2-methoxypropylamino)propanamide
CID 102698101

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
The IUPAC name of N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide (CID 106246633) is N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
The canonical SMILES for N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide is CCCCNC(=O)C(C)NCCC(O)COC.
What is the InChIKey of N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
The InChIKey is WQGLFQCVFPWCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-5-7-14-12(16)10(2)13-8-6-11(15)9-17-3/h10-11,13,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide has a molecular weight of 246.35 g/mol, XLogP of 0.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide is sourced from PubChem (CID 106246633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).