N-methyl-2-(propan-2-ylamino)-N-propylacetamide

C9H20N2O — CID 60843587

IUPACN-methyl-2-(propan-2-ylamino)-N-propylacetamide
SMILESCCCN(C)C(=O)CNC(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-11(4)9(12)7-10-8(2)3/h8,10H,5-7H2,1-4H3
InChIKeyJUZSCXUEHNSECP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-2-(propan-2-ylamino)-N-propylacetamide

N-methyl-2-(propan-2-ylamino)-N-propylacetamide (PubChem CID 60843587) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-methyl-2-(propan-2-ylamino)-N-propylacetamide.

Molecular Properties

Compound NameN-methyl-2-(propan-2-ylamino)-N-propylacetamide
PubChem CID60843587
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-methyl-2-(propan-2-ylamino)-N-propylacetamide
SMILESCCCN(C)C(=O)CNC(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-11(4)9(12)7-10-8(2)3/h8,10H,5-7H2,1-4H3
InChIKeyJUZSCXUEHNSECP-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158336
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158337
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
N-methyl-N-(2-methylbutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 63965933
2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
CID 60964030
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158360
N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
CID 169214766
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683403
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
N-butyl-N-cyclopropyl-2-(propan-2-ylamino)acetamide
CID 60945634
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
CID 104548309

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propan-2-ylamino)-N-propylacetamide?
The IUPAC name of N-methyl-2-(propan-2-ylamino)-N-propylacetamide (CID 60843587) is N-methyl-2-(propan-2-ylamino)-N-propylacetamide.
What is the SMILES notation for N-methyl-2-(propan-2-ylamino)-N-propylacetamide?
The canonical SMILES for N-methyl-2-(propan-2-ylamino)-N-propylacetamide is CCCN(C)C(=O)CNC(C)C.
What is the InChIKey of N-methyl-2-(propan-2-ylamino)-N-propylacetamide?
The InChIKey is JUZSCXUEHNSECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-6-11(4)9(12)7-10-8(2)3/h8,10H,5-7H2,1-4H3.
What are the key properties of N-methyl-2-(propan-2-ylamino)-N-propylacetamide?
N-methyl-2-(propan-2-ylamino)-N-propylacetamide has a molecular weight of 172.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propan-2-ylamino)-N-propylacetamide is sourced from PubChem (CID 60843587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).