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

C12H26N2O3 — CID 114163587

IUPACN-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)NCCC(O)COC
InChIInChI=1S/C12H26N2O3/c1-5-9(2)14-12(16)10(3)13-7-6-11(15)8-17-4/h9-11,13,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyRMAZNWRAGPEKGI-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.28
Rot. Bonds9

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

N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide (PubChem CID 114163587) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
PubChem CID114163587
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)NCCC(O)COC
InChIInChI=1S/C12H26N2O3/c1-5-9(2)14-12(16)10(3)13-7-6-11(15)8-17-4/h9-11,13,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyRMAZNWRAGPEKGI-UHFFFAOYSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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

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Related Compounds

2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide
CID 114163574
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633
1-methoxy-4-(pentan-2-ylamino)butan-2-ol
CID 115897158
N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide
CID 104624297
1-methoxy-4-(5-methylhexan-2-ylamino)butan-2-ol
CID 115897174
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407011
N-butan-2-yl-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]propanamide
CID 114112877
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide
CID 113233538
N-butan-2-yl-2-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 115664072
(3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide
CID 176565208
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide (CID 114163587) is N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide is CCC(C)NC(=O)C(C)NCCC(O)COC.
What is the InChIKey of N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
The InChIKey is RMAZNWRAGPEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-9(2)14-12(16)10(3)13-7-6-11(15)8-17-4/h9-11,13,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide has a molecular weight of 246.35 g/mol, XLogP of 0.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide is sourced from PubChem (CID 114163587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).