N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide

C8H18N2O2 — CID 60853066

IUPACN-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCO
InChIInChI=1S/C8H18N2O2/c1-7(2)9-4-3-8(12)10-5-6-11/h7,9,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyFBLRBGKBJRKKQP-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.52
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide

N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60853066) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
PubChem CID60853066
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCO
InChIInChI=1S/C8H18N2O2/c1-7(2)9-4-3-8(12)10-5-6-11/h7,9,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyFBLRBGKBJRKKQP-UHFFFAOYSA-N
XLogP-0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
3-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761146
N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
CID 106134458
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide
CID 177062284
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
CID 89354433
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide (CID 60853066) is N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is FBLRBGKBJRKKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(2)9-4-3-8(12)10-5-6-11/h7,9,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide?
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 174.24 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60853066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).