4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide

C20H25N3O3 — CID 54837767

IUPAC4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(CNCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)22-20(25)16-6-8-17(9-7-16)23-19(24)13-21-12-15-4-10-18(26-3)11-5-15/h4-11,14,21H,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyIDISDSNXWHXYLE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.56
Rot. Bonds8

About 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide

4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54837767) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54837767
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(CNCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)22-20(25)16-6-8-17(9-7-16)23-19(24)13-21-12-15-4-10-18(26-3)11-5-15/h4-11,14,21H,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyIDISDSNXWHXYLE-UHFFFAOYSA-N
XLogP2.56
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54837977
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-[(1S,2S)-1-amino-1-hydroxy-3-(hydroxyamino)-3-oxopropan-2-yl]-4-[4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]phenyl]benzamide
CID 88587202
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 24718593
N-(3-methoxypropyl)-4-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845211
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832397
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
2-[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]-N-propan-2-ylacetamide
CID 48634166

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide (CID 54837767) is 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide is COc1ccc(CNCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is IDISDSNXWHXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)22-20(25)16-6-8-17(9-7-16)23-19(24)13-21-12-15-4-10-18(26-3)11-5-15/h4-11,14,21H,12-13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide?
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54837767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).