tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate

C19H29N3O6 — CID 108918698

IUPACtert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate
SMILESCOc1cc(OC)cc(C(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H29N3O6/c1-19(2,3)28-18(25)22-12-16(23)20-7-6-8-21-17(24)13-9-14(26-4)11-15(10-13)27-5/h9-11H,6-8,12H2,1-5H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyMFGFUVLOMKWIJX-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.46
Rot. Bonds9

About tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate (PubChem CID 108918698) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate
PubChem CID108918698
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Nametert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate
SMILESCOc1cc(OC)cc(C(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H29N3O6/c1-19(2,3)28-18(25)22-12-16(23)20-7-6-8-21-17(24)13-9-14(26-4)11-15(10-13)27-5/h9-11H,6-8,12H2,1-5H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyMFGFUVLOMKWIJX-UHFFFAOYSA-N
XLogP1.46
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513841
tert-butyl N-[2-oxo-2-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylamino]ethyl]carbamate
CID 108916210
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
tert-butyl N-[2-[3-[(3-methylbenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918762
3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
CID 18162820
methyl 3,5-bis[3-[[3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoyl]amino]propoxy]benzoate;molecular hydrogen
CID 142065035
tert-butyl N-[2-[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918803
tert-butyl N-[2-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918842
tert-butyl N-[2-[2-[(3-hydroxybenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537178
tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808
tert-butyl N-[2-[3-[(2-chlorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918701
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate (CID 108918698) is tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate is COc1cc(OC)cc(C(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate?
The InChIKey is MFGFUVLOMKWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6/c1-19(2,3)28-18(25)22-12-16(23)20-7-6-8-21-17(24)13-9-14(26-4)11-15(10-13)27-5/h9-11H,6-8,12H2,1-5H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 1.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[(3,5-dimethoxybenzoyl)amino]propylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108918698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).