N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide

C13H28N4O2 — CID 43316024

IUPACN-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
SMILESCCN(CC)CCCC(C)NC(=O)C(=O)NCCN
InChIInChI=1S/C13H28N4O2/c1-4-17(5-2)10-6-7-11(3)16-13(19)12(18)15-9-8-14/h11H,4-10,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyRPYJJYNIUOHIFH-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.31
Rot. Bonds9

About N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide

N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide (PubChem CID 43316024) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
PubChem CID43316024
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
SMILESCCN(CC)CCCC(C)NC(=O)C(=O)NCCN
InChIInChI=1S/C13H28N4O2/c1-4-17(5-2)10-6-7-11(3)16-13(19)12(18)15-9-8-14/h11H,4-10,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyRPYJJYNIUOHIFH-UHFFFAOYSA-N
XLogP-0.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide
CID 108505435
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
3-[5-(diethylamino)pentan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 62670098
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide
CID 64601059
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
CID 108522253
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide (CID 43316024) is N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide is CCN(CC)CCCC(C)NC(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide?
The InChIKey is RPYJJYNIUOHIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-4-17(5-2)10-6-7-11(3)16-13(19)12(18)15-9-8-14/h11H,4-10,14H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide?
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide has a molecular weight of 272.39 g/mol, XLogP of -0.31, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide is sourced from PubChem (CID 43316024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).