2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide

C14H21N3O3 — CID 43712567

IUPAC2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C14H21N3O3/c1-9(2)13(16)14(19)17-10-5-3-4-6-11(10)20-8-7-12(15)18/h3-6,9,13H,7-8,16H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyRBAVHOIROMABMJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.86
Rot. Bonds7

About 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide

2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide (PubChem CID 43712567) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
PubChem CID43712567
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C14H21N3O3/c1-9(2)13(16)14(19)17-10-5-3-4-6-11(10)20-8-7-12(15)18/h3-6,9,13H,7-8,16H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyRBAVHOIROMABMJ-UHFFFAOYSA-N
XLogP0.86
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55882264
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
CID 62534715
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide (CID 43712567) is 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide is CC(C)C(N)C(=O)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide?
The InChIKey is RBAVHOIROMABMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)13(16)14(19)17-10-5-3-4-6-11(10)20-8-7-12(15)18/h3-6,9,13H,7-8,16H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide?
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide has a molecular weight of 279.34 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide is sourced from PubChem (CID 43712567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).