5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide

C9H18N2O3 — CID 79209725

IUPAC5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
SMILESCNC(=O)CCNC(=O)CCCCO
InChIInChI=1S/C9H18N2O3/c1-10-8(13)5-6-11-9(14)4-2-3-7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14)
InChIKeySUGQKGQWKJJNPI-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.60
Rot. Bonds7

About 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide

5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide (PubChem CID 79209725) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
PubChem CID79209725
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
SMILESCNC(=O)CCNC(=O)CCCCO
InChIInChI=1S/C9H18N2O3/c1-10-8(13)5-6-11-9(14)4-2-3-7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14)
InChIKeySUGQKGQWKJJNPI-UHFFFAOYSA-N
XLogP-0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
CID 155596032
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
5-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide
CID 112549766
N-(2-acetamidoethyl)-5-hydroxypentanamide
CID 79199978
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
N,N'-dimethylheptanediamide
CID 15166696
5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
CID 79198659
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
6-hydroxy-N-tetradecylhexanamide
CID 20542961
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide (CID 79209725) is 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide is CNC(=O)CCNC(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide?
The InChIKey is SUGQKGQWKJJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-8(13)5-6-11-9(14)4-2-3-7-12/h12H,2-7H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide?
5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide has a molecular weight of 202.25 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 79209725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).