methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate

C24H38N2O5 — CID 11316476

IUPACmethyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1OC(C)C
InChIInChI=1S/C24H38N2O5/c1-14(2)12-20(24(29)30-9)25-22(27)19-11-10-18(13-21(19)31-17(7)8)23(28)26(15(3)4)16(5)6/h10-11,13-17,20H,12H2,1-9H3,(H,25,27)/t20-/m0/s1
InChIKeyAMVFAPGBVXXLDL-FQEVSTJZSA-N
MW434.58 g/mol
LogP4.05
Rot. Bonds10

About methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate

methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate (PubChem CID 11316476) has the molecular formula C24H38N2O5 and a molecular weight of 434.58 g/mol. Its IUPAC name is methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate
PubChem CID11316476
Molecular FormulaC24H38N2O5
Molecular Weight434.58 g/mol
Exact Mass434.28
IUPAC Namemethyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1OC(C)C
InChIInChI=1S/C24H38N2O5/c1-14(2)12-20(24(29)30-9)25-22(27)19-11-10-18(13-21(19)31-17(7)8)23(28)26(15(3)4)16(5)6/h10-11,13-17,20H,12H2,1-9H3,(H,25,27)/t20-/m0/s1
InChIKeyAMVFAPGBVXXLDL-FQEVSTJZSA-N
XLogP4.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate (CID 11316476) is methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate is COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1OC(C)C.
What is the InChIKey of methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate?
The InChIKey is AMVFAPGBVXXLDL-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H38N2O5/c1-14(2)12-20(24(29)30-9)25-22(27)19-11-10-18(13-21(19)31-17(7)8)23(28)26(15(3)4)16(5)6/h10-11,13-17,20H,12H2,1-9H3,(H,25,27)/t20-/m0/s1.
What are the key properties of methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate?
methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate has a molecular weight of 434.58 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[4-[di(propan-2-yl)carbamoyl]-2-propan-2-yloxybenzoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 11316476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).