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

C17H27N3O3 — CID 66905232

IUPAC7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCOC1Cc2ccc(C(N)=O)cc2C(C)(C)C1NC[C@@H](N)CO
InChIInChI=1S/C17H27N3O3/c1-17(2)13-6-11(16(19)22)5-4-10(13)7-14(23-3)15(17)20-8-12(18)9-21/h4-6,12,14-15,20-21H,7-9,18H2,1-3H3,(H2,19,22)/t12-,14?,15?/m1/s1
InChIKeyZZLHMKQXADEDJN-LRVUVFPRSA-N
MW321.42 g/mol
LogP-0.09
Rot. Bonds6

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

7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide (PubChem CID 66905232) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
PubChem CID66905232
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCOC1Cc2ccc(C(N)=O)cc2C(C)(C)C1NC[C@@H](N)CO
InChIInChI=1S/C17H27N3O3/c1-17(2)13-6-11(16(19)22)5-4-10(13)7-14(23-3)15(17)20-8-12(18)9-21/h4-6,12,14-15,20-21H,7-9,18H2,1-3H3,(H2,19,22)/t12-,14?,15?/m1/s1
InChIKeyZZLHMKQXADEDJN-LRVUVFPRSA-N
XLogP-0.09
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
The IUPAC name of 7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide (CID 66905232) is 7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide.
What is the SMILES notation for 7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
The canonical SMILES for 7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide is COC1Cc2ccc(C(N)=O)cc2C(C)(C)C1NC[C@@H](N)CO.
What is the InChIKey of 7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
The InChIKey is ZZLHMKQXADEDJN-LRVUVFPRSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2)13-6-11(16(19)22)5-4-10(13)7-14(23-3)15(17)20-8-12(18)9-21/h4-6,12,14-15,20-21H,7-9,18H2,1-3H3,(H2,19,22)/t12-,14?,15?/m1/s1.
What are the key properties of 7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide?
7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide is sourced from PubChem (CID 66905232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).