N-[[ethyl(propan-2-yl)amino]methyl]acetamide

C8H18N2O — CID 59893743

IUPACN-[[ethyl(propan-2-yl)amino]methyl]acetamide
SMILESCCN(CNC(C)=O)C(C)C
InChIInChI=1S/C8H18N2O/c1-5-10(7(2)3)6-9-8(4)11/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyKYQHNCFJEZTVLU-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.81
Rot. Bonds4

About N-[[ethyl(propan-2-yl)amino]methyl]acetamide

N-[[ethyl(propan-2-yl)amino]methyl]acetamide (PubChem CID 59893743) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[[ethyl(propan-2-yl)amino]methyl]acetamide.

Molecular Properties

Compound NameN-[[ethyl(propan-2-yl)amino]methyl]acetamide
PubChem CID59893743
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[[ethyl(propan-2-yl)amino]methyl]acetamide
SMILESCCN(CNC(C)=O)C(C)C
InChIInChI=1S/C8H18N2O/c1-5-10(7(2)3)6-9-8(4)11/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyKYQHNCFJEZTVLU-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Diisopropyl-3-methylurea
CID 12829062
N,N,N'-Tripropan-2-ylurea
CID 12829063
N-((Diethylamino)methyl)acetamide
CID 13029866
N-propan-2-yl-N-(propan-2-ylcarbamoyl)acetamide
CID 15732490
2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide
CID 176735067
n-{[(Diethylamino)methyl]carbamoyl}acetamide
CID 232574
N-propan-2-yl-N-(propylcarbamoyl)acetamide
CID 91523830
3-Butan-2-yl-1,1-diethylurea
CID 4006530
1,1-Diethyl-3-propan-2-ylurea
CID 4687121
Bis(acetamidomethyl)-dimethylazanium
CID 12719364
Acetamidomethyl-ethyl-dimethylazanium
CID 18335916
N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide
CID 18674790

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(propan-2-yl)amino]methyl]acetamide?
The IUPAC name of N-[[ethyl(propan-2-yl)amino]methyl]acetamide (CID 59893743) is N-[[ethyl(propan-2-yl)amino]methyl]acetamide.
What is the SMILES notation for N-[[ethyl(propan-2-yl)amino]methyl]acetamide?
The canonical SMILES for N-[[ethyl(propan-2-yl)amino]methyl]acetamide is CCN(CNC(C)=O)C(C)C.
What is the InChIKey of N-[[ethyl(propan-2-yl)amino]methyl]acetamide?
The InChIKey is KYQHNCFJEZTVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-10(7(2)3)6-9-8(4)11/h7H,5-6H2,1-4H3,(H,9,11).
What are the key properties of N-[[ethyl(propan-2-yl)amino]methyl]acetamide?
N-[[ethyl(propan-2-yl)amino]methyl]acetamide has a molecular weight of 158.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl(propan-2-yl)amino]methyl]acetamide is sourced from PubChem (CID 59893743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).