N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide

C20H34N4O2 — CID 146092268

IUPACN-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C20H34N4O2/c1-6-23(7-2)12-13-24(14-15(3)4)20(26)19(25)22-18-10-8-17(9-11-18)16(5)21/h8-11,15-16H,6-7,12-14,21H2,1-5H3,(H,22,25)
InChIKeyGPEFVMPSDRSBKX-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.47
Rot. Bonds9

About N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide

N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide (PubChem CID 146092268) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide
PubChem CID146092268
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C20H34N4O2/c1-6-23(7-2)12-13-24(14-15(3)4)20(26)19(25)22-18-10-8-17(9-11-18)16(5)21/h8-11,15-16H,6-7,12-14,21H2,1-5H3,(H,22,25)
InChIKeyGPEFVMPSDRSBKX-UHFFFAOYSA-N
XLogP2.47
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1-aminoethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 61341512
N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108523149
3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181
4-[2-(diethylamino)ethyl-(2-methylpropyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992782
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462
N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide
CID 108527599
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea
CID 61341488
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
3-[4-(1-aminoethyl)phenyl]-1-(cyclobutylmethyl)-1-ethylurea
CID 107400737
1-[4-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471631
N',N'-diethyl-N-phenyloxamide
CID 14925038

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide (CID 146092268) is N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide is CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide?
The InChIKey is GPEFVMPSDRSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-6-23(7-2)12-13-24(14-15(3)4)20(26)19(25)22-18-10-8-17(9-11-18)16(5)21/h8-11,15-16H,6-7,12-14,21H2,1-5H3,(H,22,25).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide?
N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide has a molecular weight of 362.52 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-N'-[2-(diethylamino)ethyl]-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 146092268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).