methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate

C22H28N2O4 — CID 60602791

IUPACmethyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate
SMILESCCCN(Cc1ccccc1)C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C
InChIInChI=1S/C22H28N2O4/c1-5-13-24(15-17-9-7-6-8-10-17)22(26)23-19-14-18(21(25)27-4)11-12-20(19)28-16(2)3/h6-12,14,16H,5,13,15H2,1-4H3,(H,23,26)
InChIKeyRJMKRKMZZHTSPJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.70
Rot. Bonds8

About methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate

methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate (PubChem CID 60602791) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate
PubChem CID60602791
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Namemethyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate
SMILESCCCN(Cc1ccccc1)C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C
InChIInChI=1S/C22H28N2O4/c1-5-13-24(15-17-9-7-6-8-10-17)22(26)23-19-14-18(21(25)27-4)11-12-20(19)28-16(2)3/h6-12,14,16H,5,13,15H2,1-4H3,(H,23,26)
InChIKeyRJMKRKMZZHTSPJ-UHFFFAOYSA-N
XLogP4.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate
CID 75449805
3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60543557
1-benzyl-3-phenyl-1-propylurea
CID 78786424
methyl 3-[[4-(aminomethyl)benzoyl]amino]-4-propan-2-yloxybenzoate
CID 119303142
1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
CID 86999284
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
methyl 2-[[benzyl(propyl)carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate
CID 3532940
methyl 4-[[4-hydroxybutyl-[(2-methoxy-4-phenylphenyl)carbamoyl]amino]methyl]benzoate
CID 175325666
methyl 3-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-4-methoxybenzoate
CID 100755398
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
CID 134584176
methyl 4-[[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]-3-methylbenzoate
CID 94547950
methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate
CID 118781930

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate?
The IUPAC name of methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate (CID 60602791) is methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate?
The canonical SMILES for methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate is CCCN(Cc1ccccc1)C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C.
What is the InChIKey of methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate?
The InChIKey is RJMKRKMZZHTSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-13-24(15-17-9-7-6-8-10-17)22(26)23-19-14-18(21(25)27-4)11-12-20(19)28-16(2)3/h6-12,14,16H,5,13,15H2,1-4H3,(H,23,26).
What are the key properties of methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate?
methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate has a molecular weight of 384.48 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate is sourced from PubChem (CID 60602791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).