N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide

C20H34N4O3 — CID 75456654

IUPACN-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide
SMILESCCN(CC)CCOCCNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H34N4O3/c1-6-24(7-2)12-14-27-13-11-21-19(26)22-17-10-8-9-16(15-17)18(25)23-20(3,4)5/h8-10,15H,6-7,11-14H2,1-5H3,(H,23,25)(H2,21,22,26)
InChIKeyZVOUVGVIWKVYKO-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.69
Rot. Bonds10

About N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide

N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide (PubChem CID 75456654) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide
PubChem CID75456654
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide
SMILESCCN(CC)CCOCCNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H34N4O3/c1-6-24(7-2)12-14-27-13-11-21-19(26)22-17-10-8-9-16(15-17)18(25)23-20(3,4)5/h8-10,15H,6-7,11-14H2,1-5H3,(H,23,25)(H2,21,22,26)
InChIKeyZVOUVGVIWKVYKO-UHFFFAOYSA-N
XLogP2.69
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea
CID 110425086
3-(2-benzamidoethylcarbamoylamino)-N-tert-butylbenzamide
CID 55820315
3-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469487
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
CID 47201886
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-tert-butyl-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]benzamide
CID 52663990
6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
CID 122448998
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide?
The IUPAC name of N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide (CID 75456654) is N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide?
The canonical SMILES for N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide is CCN(CC)CCOCCNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide?
The InChIKey is ZVOUVGVIWKVYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-6-24(7-2)12-14-27-13-11-21-19(26)22-17-10-8-9-16(15-17)18(25)23-20(3,4)5/h8-10,15H,6-7,11-14H2,1-5H3,(H,23,25)(H2,21,22,26).
What are the key properties of N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide?
N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide has a molecular weight of 378.52 g/mol, XLogP of 2.69, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-[2-(diethylamino)ethoxy]ethylcarbamoylamino]benzamide is sourced from PubChem (CID 75456654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).