1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea

C19H23N3O3 — CID 141036377

IUPAC1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea
SMILESCOc1cc(CC(=O)CCN)ccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C19H23N3O3/c1-13-5-3-4-6-16(13)21-19(24)22-17-8-7-14(12-18(17)25-2)11-15(23)9-10-20/h3-8,12H,9-11,20H2,1-2H3,(H2,21,22,24)
InChIKeyBTBKUKCMHWTXAI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.11
Rot. Bonds7

About 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea

1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea (PubChem CID 141036377) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea
PubChem CID141036377
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea
SMILESCOc1cc(CC(=O)CCN)ccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C19H23N3O3/c1-13-5-3-4-6-16(13)21-19(24)22-17-8-7-14(12-18(17)25-2)11-15(23)9-10-20/h3-8,12H,9-11,20H2,1-2H3,(H2,21,22,24)
InChIKeyBTBKUKCMHWTXAI-UHFFFAOYSA-N
XLogP3.11
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methanamine;3-methoxy-4-[4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-3-oxobutoxy]benzoic acid
CID 23512377
3-methoxy-4-[4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-3-oxobutoxy]benzoic acid
CID 23512378
ethyl 3-methoxy-4-[4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-3-oxobutoxy]benzoate;methanamine
CID 23511786
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
CID 62103048
3-methoxy-4-[4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-1-(methylamino)-3-oxobutoxy]benzoic acid
CID 69333407
2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide
CID 70077446
3-[[3-[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopropyl]amino]propyl-methylcarbamoyl]-methylamino]propanoic acid
CID 70137953
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
3-amino-4-[2-[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopropyl]amino]ethoxy]benzoic acid
CID 69332175
3-(N-[2-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]anilino)propanoic acid
CID 18315247
3-chloro-4-[1-[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopropyl]amino]ethoxy]benzoic acid
CID 23512394
1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea (CID 141036377) is 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea is COc1cc(CC(=O)CCN)ccc1NC(=O)Nc1ccccc1C.
What is the InChIKey of 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea?
The InChIKey is BTBKUKCMHWTXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-5-3-4-6-16(13)21-19(24)22-17-8-7-14(12-18(17)25-2)11-15(23)9-10-20/h3-8,12H,9-11,20H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea?
1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea has a molecular weight of 341.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 141036377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).