(6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide

C19H31N3O2 — CID 66905611

IUPAC(6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCCC1(CC)c2cc(C(N)=O)ccc2C[C@H](OC)C1NCCNC
InChIInChI=1S/C19H31N3O2/c1-5-19(6-2)15-11-14(18(20)23)8-7-13(15)12-16(24-4)17(19)22-10-9-21-3/h7-8,11,16-17,21-22H,5-6,9-10,12H2,1-4H3,(H2,20,23)/t16-,17?/m0/s1
InChIKeyBVQPMYISRZQFFM-BHWOMJMDSA-N
MW333.48 g/mol
LogP1.59
Rot. Bonds8

About (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide

(6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide (PubChem CID 66905611) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name(6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
PubChem CID66905611
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCCC1(CC)c2cc(C(N)=O)ccc2C[C@H](OC)C1NCCNC
InChIInChI=1S/C19H31N3O2/c1-5-19(6-2)15-11-14(18(20)23)8-7-13(15)12-16(24-4)17(19)22-10-9-21-3/h7-8,11,16-17,21-22H,5-6,9-10,12H2,1-4H3,(H2,20,23)/t16-,17?/m0/s1
InChIKeyBVQPMYISRZQFFM-BHWOMJMDSA-N
XLogP1.59
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.59
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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Related Compounds

(6R,7R)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 66905616
2-[2-[[(2S,3S)-7-carbamoyl-1,1-diethyl-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]ethyl]-3-methylbutanoic acid
CID 66702044
(6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 66905155
(2R)-2-[2-[[(2S,3S)-7-carbamoyl-1,1-diethyl-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]ethyl]hexanoic acid
CID 42633460
(2S)-4-[[(2S,3S)-7-carbamoyl-1,1-diethyl-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]-2-(cyclohexylmethyl)butanoic acid
CID 46209424
(2S)-4-[[(2S,3S)-7-carbamoyl-1,1-diethyl-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]-2-[(4-hydroxycyclohexyl)methyl]butanoic acid
CID 86294366
(6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 66905027
ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate
CID 66674826
7-[[(2R)-2-amino-3-hydroxypropyl]amino]-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 66905232
(6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 123567531
cyclohexylmethyl 4-[[(2S,3S)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]butanoate
CID 42633464
7-amino-8,8-diethyl-6-methyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 130285552

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide?
The IUPAC name of (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide (CID 66905611) is (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide.
What is the SMILES notation for (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide?
The canonical SMILES for (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide is CCC1(CC)c2cc(C(N)=O)ccc2C[C@H](OC)C1NCCNC.
What is the InChIKey of (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide?
The InChIKey is BVQPMYISRZQFFM-BHWOMJMDSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-19(6-2)15-11-14(18(20)23)8-7-13(15)12-16(24-4)17(19)22-10-9-21-3/h7-8,11,16-17,21-22H,5-6,9-10,12H2,1-4H3,(H2,20,23)/t16-,17?/m0/s1.
What are the key properties of (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide?
(6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide is sourced from PubChem (CID 66905611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).