N-(3-hydroxy-4-methoxybutyl)formamide

C6H13NO3 — CID 106243326

IUPACN-(3-hydroxy-4-methoxybutyl)formamide
SMILESCOCC(O)CCNC=O
InChIInChI=1S/C6H13NO3/c1-10-4-6(9)2-3-7-5-8/h5-6,9H,2-4H2,1H3,(H,7,8)
InChIKeyNGICPYQSHAWVBK-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.87
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)formamide

N-(3-hydroxy-4-methoxybutyl)formamide (PubChem CID 106243326) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)formamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)formamide
PubChem CID106243326
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-(3-hydroxy-4-methoxybutyl)formamide
SMILESCOCC(O)CCNC=O
InChIInChI=1S/C6H13NO3/c1-10-4-6(9)2-3-7-5-8/h5-6,9H,2-4H2,1H3,(H,7,8)
InChIKeyNGICPYQSHAWVBK-UHFFFAOYSA-N
XLogP-0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxyhexyl)formamide
CID 54084231
ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
CID 153396785
4-(heptylamino)-1-methoxybutan-2-ol
CID 106245003
N-(3-hydroxy-4-methoxybutyl)methanesulfonamide
CID 103875867
4-[(3-hydroxy-4-methoxybutyl)amino]-3-methylbut-2-enoic acid
CID 106248300
4-(2,3-dichloroprop-2-enylamino)-1-methoxybutan-2-ol
CID 106246561
methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate
CID 106246638
N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
CID 106246865
2-[[(3-hydroxy-4-methoxybutyl)amino]methyl]prop-2-enoic acid
CID 106248282
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
N-(2-methoxyethyl)formamide;sulfuric acid
CID 161274600
4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
CID 106246562

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)formamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)formamide (CID 106243326) is N-(3-hydroxy-4-methoxybutyl)formamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)formamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)formamide is COCC(O)CCNC=O.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)formamide?
The InChIKey is NGICPYQSHAWVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-10-4-6(9)2-3-7-5-8/h5-6,9H,2-4H2,1H3,(H,7,8).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)formamide?
N-(3-hydroxy-4-methoxybutyl)formamide has a molecular weight of 147.17 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)formamide is sourced from PubChem (CID 106243326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).