N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide

C12H26N2O3 — CID 114210564

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

About N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide

N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide (PubChem CID 114210564) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide
PubChem CID114210564
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide
SMILESCCCCNC(=O)C(C)NC(CO)CCOC
InChIInChI=1S/C12H26N2O3/c1-4-5-7-13-12(16)10(2)14-11(9-15)6-8-17-3/h10-11,14-15H,4-9H2,1-3H3,(H,13,16)
InChIKeyHRXXOQKMDPYVFU-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-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43467320
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106190666
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 129365438
N-butyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106160696
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-methylpropanamide
CID 106190418
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
CID 61247605

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide?
The IUPAC name of N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide (CID 114210564) is N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide?
The canonical SMILES for N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide is CCCCNC(=O)C(C)NC(CO)CCOC.
What is the InChIKey of N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide?
The InChIKey is HRXXOQKMDPYVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-5-7-13-12(16)10(2)14-11(9-15)6-8-17-3/h10-11,14-15H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide?
N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)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-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide is sourced from PubChem (CID 114210564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).