dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate

C24H37NO6 — CID 138974783

IUPACdipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate
SMILESCOc1ccc(C(=O)NCCCC(C)(C)CC(C(=O)OC(C)C)C(=O)OC(C)C)cc1
InChIInChI=1S/C24H37NO6/c1-16(2)30-22(27)20(23(28)31-17(3)4)15-24(5,6)13-8-14-25-21(26)18-9-11-19(29-7)12-10-18/h9-12,16-17,20H,8,13-15H2,1-7H3,(H,25,26)
InChIKeyOXLBSAPXKKBHHL-UHFFFAOYSA-N
MW435.56 g/mol
LogP4.14
Rot. Bonds12

About dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate

dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate (PubChem CID 138974783) has the molecular formula C24H37NO6 and a molecular weight of 435.56 g/mol. Its IUPAC name is dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate
PubChem CID138974783
Molecular FormulaC24H37NO6
Molecular Weight435.56 g/mol
Exact Mass435.26
IUPAC Namedipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate
SMILESCOc1ccc(C(=O)NCCCC(C)(C)CC(C(=O)OC(C)C)C(=O)OC(C)C)cc1
InChIInChI=1S/C24H37NO6/c1-16(2)30-22(27)20(23(28)31-17(3)4)15-24(5,6)13-8-14-25-21(26)18-9-11-19(29-7)12-10-18/h9-12,16-17,20H,8,13-15H2,1-7H3,(H,25,26)
InChIKeyOXLBSAPXKKBHHL-UHFFFAOYSA-N
XLogP4.14
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142
4-methoxy-N-pentylbenzamide
CID 3113360
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
N-(3-chloro-2,2-dimethylpropyl)-4-methoxybenzamide
CID 115364498
N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide;hydrochloride
CID 174646948
(2S)-2-[[(2R)-2-amino-6-[(4-methoxybenzoyl)amino]hexanoyl]amino]-3-methylbutanoic acid
CID 10091120

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate?
The IUPAC name of dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate (CID 138974783) is dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate.
What is the SMILES notation for dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate?
The canonical SMILES for dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate is COc1ccc(C(=O)NCCCC(C)(C)CC(C(=O)OC(C)C)C(=O)OC(C)C)cc1.
What is the InChIKey of dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate?
The InChIKey is OXLBSAPXKKBHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO6/c1-16(2)30-22(27)20(23(28)31-17(3)4)15-24(5,6)13-8-14-25-21(26)18-9-11-19(29-7)12-10-18/h9-12,16-17,20H,8,13-15H2,1-7H3,(H,25,26).
What are the key properties of dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate?
dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate has a molecular weight of 435.56 g/mol, XLogP of 4.14, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-[5-[(4-methoxybenzoyl)amino]-2,2-dimethylpentyl]propanedioate is sourced from PubChem (CID 138974783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).