N-propan-2-yl-2-(propylamino)acetamide

C8H18N2O — CID 28586282

IUPACN-propan-2-yl-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)C
InChIInChI=1S/C8H18N2O/c1-4-5-9-6-8(11)10-7(2)3/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyDVUKXNCIFUVXNJ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.51
Rot. Bonds5

About N-propan-2-yl-2-(propylamino)acetamide

N-propan-2-yl-2-(propylamino)acetamide (PubChem CID 28586282) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-propan-2-yl-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(propylamino)acetamide
PubChem CID28586282
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-propan-2-yl-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)C
InChIInChI=1S/C8H18N2O/c1-4-5-9-6-8(11)10-7(2)3/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyDVUKXNCIFUVXNJ-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
CID 79249827
2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide
CID 104668411
2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide
CID 65093410
N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide
CID 81393460
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
(2S)-4-methyl-2-[[2-(propylamino)acetyl]amino]pentanoic acid
CID 78976964
2-(7-methyloctylamino)-N-propan-2-ylacetamide
CID 103604939
N-methyl-2-(propylamino)acetamide
CID 28586328
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648459
N-(2-methylpropoxy)-2-(propylamino)acetamide
CID 82722668

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(propylamino)acetamide?
The IUPAC name of N-propan-2-yl-2-(propylamino)acetamide (CID 28586282) is N-propan-2-yl-2-(propylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(propylamino)acetamide?
The canonical SMILES for N-propan-2-yl-2-(propylamino)acetamide is CCCNCC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-(propylamino)acetamide?
The InChIKey is DVUKXNCIFUVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-5-9-6-8(11)10-7(2)3/h7,9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-propan-2-yl-2-(propylamino)acetamide?
N-propan-2-yl-2-(propylamino)acetamide has a molecular weight of 158.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(propylamino)acetamide is sourced from PubChem (CID 28586282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).