methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate

C18H26N2O4 — CID 90859031

IUPACmethyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
SMILESCOC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C18H26N2O4/c1-23-16-11-13(8-9-14(16)19)17(21)20-15(18(22)24-2)10-12-6-4-3-5-7-12/h8-9,11-12,15H,3-7,10,19H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyNDUQTIYZIHFBID-OAHLLOKOSA-N
MW334.42 g/mol
LogP2.52
Rot. Bonds6

About methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate

methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate (PubChem CID 90859031) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
PubChem CID90859031
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
SMILESCOC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C18H26N2O4/c1-23-16-11-13(8-9-14(16)19)17(21)20-15(18(22)24-2)10-12-6-4-3-5-7-12/h8-9,11-12,15H,3-7,10,19H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyNDUQTIYZIHFBID-OAHLLOKOSA-N
XLogP2.52
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(4-bromo-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 59949375
methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate
CID 91059874
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
CID 104782852
methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate
CID 59948374
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 18421765
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
4-amino-N-(2,2-dicyclopropylethyl)-3-methoxybenzamide
CID 104783034
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 87850224
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate?
The IUPAC name of methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate (CID 90859031) is methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate?
The canonical SMILES for methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate is COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate?
The InChIKey is NDUQTIYZIHFBID-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-16-11-13(8-9-14(16)19)17(21)20-15(18(22)24-2)10-12-6-4-3-5-7-12/h8-9,11-12,15H,3-7,10,19H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate?
methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate has a molecular weight of 334.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate is sourced from PubChem (CID 90859031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).