(6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide

C24H29F2N3O3 — CID 66905225

IUPAC(6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCO[C@@H]1Cc2ccc(C(N)=O)cc2C(C)(C)[C@H]1NCCCNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C24H29F2N3O3/c1-24(2)19-11-15(22(27)30)6-5-14(19)12-20(32-3)21(24)28-7-4-8-29-23(31)16-9-17(25)13-18(26)10-16/h5-6,9-11,13,20-21,28H,4,7-8,12H2,1-3H3,(H2,27,30)(H,29,31)/t20-,21+/m1/s1
InChIKeyCFGROZYWDHCJCH-RTWAWAEBSA-N
MW445.51 g/mol
LogP2.69
Rot. Bonds8

About (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide

(6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide (PubChem CID 66905225) has the molecular formula C24H29F2N3O3 and a molecular weight of 445.51 g/mol. Its IUPAC name is (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name(6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
PubChem CID66905225
Molecular FormulaC24H29F2N3O3
Molecular Weight445.51 g/mol
Exact Mass445.22
IUPAC Name(6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCO[C@@H]1Cc2ccc(C(N)=O)cc2C(C)(C)[C@H]1NCCCNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C24H29F2N3O3/c1-24(2)19-11-15(22(27)30)6-5-14(19)12-20(32-3)21(24)28-7-4-8-29-23(31)16-9-17(25)13-18(26)10-16/h5-6,9-11,13,20-21,28H,4,7-8,12H2,1-3H3,(H2,27,30)(H,29,31)/t20-,21+/m1/s1
InChIKeyCFGROZYWDHCJCH-RTWAWAEBSA-N
XLogP2.69
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
The IUPAC name of (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide (CID 66905225) is (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide.
What is the SMILES notation for (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
The canonical SMILES for (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide is CO[C@@H]1Cc2ccc(C(N)=O)cc2C(C)(C)[C@H]1NCCCNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
The InChIKey is CFGROZYWDHCJCH-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H29F2N3O3/c1-24(2)19-11-15(22(27)30)6-5-14(19)12-20(32-3)21(24)28-7-4-8-29-23(31)16-9-17(25)13-18(26)10-16/h5-6,9-11,13,20-21,28H,4,7-8,12H2,1-3H3,(H2,27,30)(H,29,31)/t20-,21+/m1/s1.
What are the key properties of (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
(6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide has a molecular weight of 445.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-[3-[(3,5-difluorobenzoyl)amino]propylamino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide is sourced from PubChem (CID 66905225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).