N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide

C11H24N2O2 — CID 106134458

IUPACN-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
SMILESCC(O)CCCNC(=O)CCNC(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)12-8-6-11(15)13-7-4-5-10(3)14/h9-10,12,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyMEVXMBIOPXMYFT-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.65
Rot. Bonds8

About N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide

N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide (PubChem CID 106134458) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
PubChem CID106134458
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
SMILESCC(O)CCCNC(=O)CCNC(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)12-8-6-11(15)13-7-4-5-10(3)14/h9-10,12,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyMEVXMBIOPXMYFT-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.65
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

5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
N-(4-hydroxypentyl)propanamide
CID 107299540
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide
CID 176814500
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide (CID 106134458) is N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide is CC(O)CCCNC(=O)CCNC(C)C.
What is the InChIKey of N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is MEVXMBIOPXMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(2)12-8-6-11(15)13-7-4-5-10(3)14/h9-10,12,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide?
N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 216.32 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 106134458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).