N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide

C13H28N2O2 — CID 119995373

IUPACN-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide
SMILESCC(C)CC(C)OCCC(=O)NCC(C)CN
InChIInChI=1S/C13H28N2O2/c1-10(2)7-12(4)17-6-5-13(16)15-9-11(3)8-14/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyNYRAPOJPEFKIHW-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.54
Rot. Bonds9

About N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide

N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide (PubChem CID 119995373) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide
PubChem CID119995373
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide
SMILESCC(C)CC(C)OCCC(=O)NCC(C)CN
InChIInChI=1S/C13H28N2O2/c1-10(2)7-12(4)17-6-5-13(16)15-9-11(3)8-14/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyNYRAPOJPEFKIHW-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
CID 119503874
N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride
CID 119995769
N-(2-amino-2-ethylbutyl)-3-(4-methylpentan-2-yloxy)propanamide
CID 119643447
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
CID 119549491
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methylpentan-2-yloxy)propanamide
CID 119575565
hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate
CID 66339650
(3S)-3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methylhexanoic acid
CID 82688879
N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide
CID 119997509

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide (CID 119995373) is N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide is CC(C)CC(C)OCCC(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide?
The InChIKey is NYRAPOJPEFKIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)7-12(4)17-6-5-13(16)15-9-11(3)8-14/h10-12H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide?
N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide is sourced from PubChem (CID 119995373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).