N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide

C28H33N5O8 — CID 75020119

IUPACN-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide
SMILESO=C(CN1CCCN(C(=O)N2CCOCC2)CC(NC(=O)c2ccc3ccccc3c2)C1=O)NC1CC(=O)OC1O
InChIInChI=1S/C28H33N5O8/c34-23(29-21-15-24(35)41-27(21)38)17-32-8-3-9-33(28(39)31-10-12-40-13-11-31)16-22(26(32)37)30-25(36)20-7-6-18-4-1-2-5-19(18)14-20/h1-2,4-7,14,21-22,27,38H,3,8-13,15-17H2,(H,29,34)(H,30,36)
InChIKeyAIRXCRBTHKHYBD-UHFFFAOYSA-N
MW567.60 g/mol
LogP-0.33
Rot. Bonds5

About N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide

N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide (PubChem CID 75020119) has the molecular formula C28H33N5O8 and a molecular weight of 567.60 g/mol. Its IUPAC name is N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide
PubChem CID75020119
Molecular FormulaC28H33N5O8
Molecular Weight567.60 g/mol
Exact Mass567.23
IUPAC NameN-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide
SMILESO=C(CN1CCCN(C(=O)N2CCOCC2)CC(NC(=O)c2ccc3ccccc3c2)C1=O)NC1CC(=O)OC1O
InChIInChI=1S/C28H33N5O8/c34-23(29-21-15-24(35)41-27(21)38)17-32-8-3-9-33(28(39)31-10-12-40-13-11-31)16-22(26(32)37)30-25(36)20-7-6-18-4-1-2-5-19(18)14-20/h1-2,4-7,14,21-22,27,38H,3,8-13,15-17H2,(H,29,34)(H,30,36)
InChIKeyAIRXCRBTHKHYBD-UHFFFAOYSA-N
XLogP-0.33
TPSA157.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.60
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide (CID 75020119) is N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide is O=C(CN1CCCN(C(=O)N2CCOCC2)CC(NC(=O)c2ccc3ccccc3c2)C1=O)NC1CC(=O)OC1O.
What is the InChIKey of N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide?
The InChIKey is AIRXCRBTHKHYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O8/c34-23(29-21-15-24(35)41-27(21)38)17-32-8-3-9-33(28(39)31-10-12-40-13-11-31)16-22(26(32)37)30-25(36)20-7-6-18-4-1-2-5-19(18)14-20/h1-2,4-7,14,21-22,27,38H,3,8-13,15-17H2,(H,29,34)(H,30,36).
What are the key properties of N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide?
N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide has a molecular weight of 567.60 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-5-(morpholine-4-carbonyl)-2-oxo-1,5-diazocan-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 75020119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).