N-ethyl-2-(pentan-3-ylamino)acetamide

C9H20N2O — CID 28566551

IUPACN-ethyl-2-(pentan-3-ylamino)acetamide
SMILESCCNC(=O)CNC(CC)CC
InChIInChI=1S/C9H20N2O/c1-4-8(5-2)11-7-9(12)10-6-3/h8,11H,4-7H2,1-3H3,(H,10,12)
InChIKeyPRLYOGAYQZPXOO-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.90
Rot. Bonds6

About N-ethyl-2-(pentan-3-ylamino)acetamide

N-ethyl-2-(pentan-3-ylamino)acetamide (PubChem CID 28566551) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethyl-2-(pentan-3-ylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(pentan-3-ylamino)acetamide
PubChem CID28566551
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethyl-2-(pentan-3-ylamino)acetamide
SMILESCCNC(=O)CNC(CC)CC
InChIInChI=1S/C9H20N2O/c1-4-8(5-2)11-7-9(12)10-6-3/h8,11H,4-7H2,1-3H3,(H,10,12)
InChIKeyPRLYOGAYQZPXOO-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
CID 60672078
N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
N-butyl-2-(1-hydroxybutan-2-ylamino)acetamide
CID 60671634
N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide
CID 43499785
2-(dicyclopropylmethylamino)-N-ethylacetamide
CID 43403058
2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
CID 103238421
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 103776091
N-ethyl-2-(methylamino)acetamide;hydrochloride
CID 18526161
N,N'-diethylpropanediamide
CID 4600245
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
2-(hept-6-en-3-ylamino)-N-propylacetamide
CID 115707124

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(pentan-3-ylamino)acetamide?
The IUPAC name of N-ethyl-2-(pentan-3-ylamino)acetamide (CID 28566551) is N-ethyl-2-(pentan-3-ylamino)acetamide.
What is the SMILES notation for N-ethyl-2-(pentan-3-ylamino)acetamide?
The canonical SMILES for N-ethyl-2-(pentan-3-ylamino)acetamide is CCNC(=O)CNC(CC)CC.
What is the InChIKey of N-ethyl-2-(pentan-3-ylamino)acetamide?
The InChIKey is PRLYOGAYQZPXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-8(5-2)11-7-9(12)10-6-3/h8,11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of N-ethyl-2-(pentan-3-ylamino)acetamide?
N-ethyl-2-(pentan-3-ylamino)acetamide has a molecular weight of 172.27 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(pentan-3-ylamino)acetamide is sourced from PubChem (CID 28566551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).