4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide

C10H21N3O3 — CID 103154388

IUPAC4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide
SMILESCOC(CN)CC(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C10H21N3O3/c1-7(2)13(6-9(12)14)10(15)4-8(5-11)16-3/h7-8H,4-6,11H2,1-3H3,(H2,12,14)
InChIKeyWUVOVWRASPOTPO-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.93
Rot. Bonds7

About 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide

4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide (PubChem CID 103154388) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide
PubChem CID103154388
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide
SMILESCOC(CN)CC(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C10H21N3O3/c1-7(2)13(6-9(12)14)10(15)4-8(5-11)16-3/h7-8H,4-6,11H2,1-3H3,(H2,12,14)
InChIKeyWUVOVWRASPOTPO-UHFFFAOYSA-N
XLogP-0.93
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901
4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 103155199
methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate
CID 112616986
4-amino-3-methoxy-N-[(4-nitrophenyl)methyl]-N-propan-2-ylbutanamide
CID 120590125
4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 103155184
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155176
4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450
N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide
CID 43578807
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
CID 119684345
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
4-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948012

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide (CID 103154388) is 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide is COC(CN)CC(=O)N(CC(N)=O)C(C)C.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide?
The InChIKey is WUVOVWRASPOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(2)13(6-9(12)14)10(15)4-8(5-11)16-3/h7-8H,4-6,11H2,1-3H3,(H2,12,14).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide?
4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide has a molecular weight of 231.30 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide is sourced from PubChem (CID 103154388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).