N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide

C9H18N2O3 — CID 170712620

IUPACN-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide
SMILESCC(=O)COCNC(=O)CNC(C)C
InChIInChI=1S/C9H18N2O3/c1-7(2)10-4-9(13)11-6-14-5-8(3)12/h7,10H,4-6H2,1-3H3,(H,11,13)
InChIKeyLOXQVKSIPGKXDX-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.34
Rot. Bonds7

About N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide

N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide (PubChem CID 170712620) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide
PubChem CID170712620
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide
SMILESCC(=O)COCNC(=O)CNC(C)C
InChIInChI=1S/C9H18N2O3/c1-7(2)10-4-9(13)11-6-14-5-8(3)12/h7,10H,4-6H2,1-3H3,(H,11,13)
InChIKeyLOXQVKSIPGKXDX-UHFFFAOYSA-N
XLogP-0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide
CID 146201925
N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide
CID 102905922
2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
CID 174356714
N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide
CID 171804657
2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 175851403
2-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761099
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]amino]ethyl]-2-(propan-2-ylamino)acetamide
CID 163498678
N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897
3-methyl-4-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 81072242
2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
CID 63226957

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide (CID 170712620) is N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide is CC(=O)COCNC(=O)CNC(C)C.
What is the InChIKey of N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is LOXQVKSIPGKXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(2)10-4-9(13)11-6-14-5-8(3)12/h7,10H,4-6H2,1-3H3,(H,11,13).
What are the key properties of N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide?
N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 202.25 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 170712620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).