N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide

C19H21N3O4 — CID 47049634

IUPACN-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-13(23)15-4-3-5-16(12-15)22-19(25)21-11-10-20-18(24)14-6-8-17(26-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyAIJCIPKMBUSRLH-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.45
Rot. Bonds7

About N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide

N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide (PubChem CID 47049634) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
PubChem CID47049634
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-13(23)15-4-3-5-16(12-15)22-19(25)21-11-10-20-18(24)14-6-8-17(26-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyAIJCIPKMBUSRLH-UHFFFAOYSA-N
XLogP2.45
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.45
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

N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 78892736
methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 108990581
N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 56557423
3-[(4-methoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17219248
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 7831456
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-3-methoxybenzamide
CID 78874679

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide (CID 47049634) is N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The InChIKey is AIJCIPKMBUSRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(23)15-4-3-5-16(12-15)22-19(25)21-11-10-20-18(24)14-6-8-17(26-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H2,21,22,25).
What are the key properties of N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide has a molecular weight of 355.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 47049634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).