N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide

C14H21N3O3 — CID 108572043

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-7-5-11(6-8-12)13(18)15-9-10-16-14(19)17(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyQJNHWORZGKZVLJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.09
Rot. Bonds6

About N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide

N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide (PubChem CID 108572043) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
PubChem CID108572043
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-7-5-11(6-8-12)13(18)15-9-10-16-14(19)17(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyQJNHWORZGKZVLJ-UHFFFAOYSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
4-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115013
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
CID 108540579
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051
N-decyl-4-ethoxybenzamide
CID 4123784
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822
N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide
CID 96527002
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide (CID 108572043) is N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCCNC(=O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide?
The InChIKey is QJNHWORZGKZVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-12-7-5-11(6-8-12)13(18)15-9-10-16-14(19)17(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide?
N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide is sourced from PubChem (CID 108572043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).