tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate

C32H38FN3O7 — CID 144796141

IUPACtert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate
SMILESCOc1cc(C(=O)NCC(C)(O)c2ccc(OCCNC(=O)OC(C)(C)C)c(-c3ccc(F)cc3)n2)ccc1OC1CC1
InChIInChI=1S/C32H38FN3O7/c1-31(2,3)43-30(38)34-16-17-41-25-14-15-27(36-28(25)20-6-9-22(33)10-7-20)32(4,39)19-35-29(37)21-8-13-24(26(18-21)40-5)42-23-11-12-23/h6-10,13-15,18,23,39H,11-12,16-17,19H2,1-5H3,(H,34,38)(H,35,37)
InChIKeyDDCVQGQDNKZMMK-UHFFFAOYSA-N
MW595.67 g/mol
LogP4.98
Rot. Bonds12

About tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate

tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate (PubChem CID 144796141) has the molecular formula C32H38FN3O7 and a molecular weight of 595.67 g/mol. Its IUPAC name is tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate
PubChem CID144796141
Molecular FormulaC32H38FN3O7
Molecular Weight595.67 g/mol
Exact Mass595.27
IUPAC Nametert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate
SMILESCOc1cc(C(=O)NCC(C)(O)c2ccc(OCCNC(=O)OC(C)(C)C)c(-c3ccc(F)cc3)n2)ccc1OC1CC1
InChIInChI=1S/C32H38FN3O7/c1-31(2,3)43-30(38)34-16-17-41-25-14-15-27(36-28(25)20-6-9-22(33)10-7-20)32(4,39)19-35-29(37)21-8-13-24(26(18-21)40-5)42-23-11-12-23/h6-10,13-15,18,23,39H,11-12,16-17,19H2,1-5H3,(H,34,38)(H,35,37)
InChIKeyDDCVQGQDNKZMMK-UHFFFAOYSA-N
XLogP4.98
TPSA128.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.67
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate with MolForge

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Related Compounds

N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 122502998
US11420976, Example 14
CID 156809848
US11420976, Example 21
CID 156809861
US11420976, Example 15
CID 156809873
US11420976, Example 3
CID 156809883
US11420976, Example 27
CID 156809893
US11420976, Example 1
CID 156809900
US11420976, Example 24
CID 156809936
US11420976, Example 9
CID 158470136
US11420976, Example 13
CID 162459431
US11420976, Example 51
CID 163884105
US11420976, Example 7
CID 165436682

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate (CID 144796141) is tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate is COc1cc(C(=O)NCC(C)(O)c2ccc(OCCNC(=O)OC(C)(C)C)c(-c3ccc(F)cc3)n2)ccc1OC1CC1.
What is the InChIKey of tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate?
The InChIKey is DDCVQGQDNKZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O7/c1-31(2,3)43-30(38)34-16-17-41-25-14-15-27(36-28(25)20-6-9-22(33)10-7-20)32(4,39)19-35-29(37)21-8-13-24(26(18-21)40-5)42-23-11-12-23/h6-10,13-15,18,23,39H,11-12,16-17,19H2,1-5H3,(H,34,38)(H,35,37).
What are the key properties of tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate?
tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate has a molecular weight of 595.67 g/mol, XLogP of 4.98, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-pyridinyl]oxy]ethyl]carbamate is sourced from PubChem (CID 144796141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).